IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures—Revised and Updated. Part 3. Neat Organic Solvents
William E. Acree, Jr. a) Department of Chemistry, University of North Texas, Denton, Texas 76203, USA
(Received 28 November 2012; accepted 30 November 2012; published online 4 March 2013)
This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in neat organic solvents. Published solubility data for acenaphthene, anthracene, biphenyl, carbazole, dibenzofuran, dibenzothiophene, fluoranthene, fluorene, naphthalene, phenanthrene, phe- nothiazine, pyrene, thianthrene, and xanthene that appeared in the primary literature from 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for more than 550 different solute-organic solvent systems are included. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume. Ó 2013 American Institute of Physics. [http://dx.doi.org/ 10.1063/1.4775402]
Key words: acenaphthene; alcohols; alkanes; alkanenitriles; alkoxyalcohols; alkyl ethanoates; anthracene; biphenyl; carbazole; chloroalkanes; dialkyl ethers; dibenzofuran; dibeznothiophene; fluoranthene; fluorine; naphthalene; phenanthrene; phenothiazine; polycyclic aromatic hydrocarbons; pyrene; solubility; thainthrene; xanthenes.
CONTENTS 3.2. Anthracene solubility data in saturated hydrocarbons (including cycloalkanes) . . . . 29 3.3. Anthracene solubility data in aromatic 1. Preface ...... 3 hydrocarbons...... 31 1.1. Scope of this volume ...... 3 3.4. Anthracene solubility data in esters ...... 32 1.2. Procedures used in critical evaluation 3.5. Anthracene solubility data in ethers ...... 33 of published solubility data ...... 3 3.6. Anthracene solubility data in haloalkanes, 2. Solubility of Acenaphthene in Organic Solvents 4 haloalkenes, and haloaromatic hydrocarbons 34 2.1. Critical evaluation of experimental 3.7. Anthracene solubility data in alcohols. . . . . 36 solubility data ...... 4 3.8. Anthracene solubility data in alkoxyalcohols 42 2.2. Acenaphthene solubility data in saturated 3.9. Anthracene solubility data in miscellaneous hydrocarbons (including cycloalkanes) . . . . 5 organic solvents ...... 44 2.3. Acenaphthene solubility in aromatic 4. Solubility of Biphenyl in Organic Solvents..... 50 hydrocarbons...... 10 4.1. Critical evaluation of experimental 2.4. Acenaphthene solubility data in esters. . . . . 11 solubility data ...... 50 2.5. Acenaphthene solubility data in ethers . . . . 12 4.2. Biphenyl solubility data in saturated 2.6. Acenaphthene solubility data in haloalkanes, hydrocarbons (including cycloalkanes) . . . . 50 haloalkenes, and haloaromatic hydrocarbons 14 4.3. Biphenyl solubility data in aromatic 2.7. Acenaphthene solubility data in alcohols . . 16 hydrocarbons...... 53 2.8. Acenaphthene solubility data in 4.4. Biphenyl solubility data in ethers ...... 53 alkoxyalcohols ...... 25 4.5. Biphenyl solubility data in alcohols ...... 54 2.9. Acenaphthene solubility data in ketones. . . 26 4.6. Biphenyl solubility data in alkoxyalcohols 60 2.10. Acenaphthene solubility data in 4.7. Biphenyl solubility data in miscellaneous miscellaneous organic solvents ...... 26 organic solvents ...... 62 3. Solubility of Anthracene in Organic Solvents... 28 5. Solubility of Carbazole in Organic Solvents.... 62 3.1. Critical evaluation of experimental 5.1. Critical evaluation of experimental solubility data ...... 28 solubility data ...... 62 5.2. Carbazole solubility data in miscellaneous a)Electronic mail: [email protected]. Ó 2013 American Institute of Physics. organic solvents ...... 63
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6. Solubility of Dibenzofuran in Organic Solvents . 65 10.3. Naphthalene solubility data in aromatic 6.1. Critical evaluation of experimental hydrocarbons ...... 118 solubility data ...... 65 10.4. Naphthalene solubility data in esters . . . . . 120 6.2. Dibenzofuran solubility data in saturated 10.5. Naphthalene solubility data in ethers. . . . . 121 hydrocarbons (including cycloalkanes) . . . . 65 10.6. Naphthalene solubility data in haloalkanes, 6.3. Dibenzofuran solubility data in aromatic haloalkenes, and haloaromatic hydrocarbons...... 66 hydrocarbons ...... 122 6.4. Dibenzofuran solubility data in esters . . . . . 66 10.7. Naphthalene solubility data in alcohols . . 126 6.5. Dibenzofuran solubility data in ethers . . . . . 67 10.8. Naphthalene solubility data in ketones . . . 129 6.6. Dibenzofuran solubility data in haloalkanes, 10.9. Naphthalene solubility data in haloalkenes, and haloaromatic hydrocarbons 67 miscellaneous organic solvents ...... 130 6.7. Dibenzofuran solubility data in alcohols. . . 67 11. Solubility of Phenanthrene in Organic Solvents 131 6.8. Dibenzofuran solubility data in 11.1. Critical evaluation of experimental miscellaneous organic solvents...... 68 solubility data...... 131 7. Solubility of Dibenzothiophene in Organic 11.2. Phenanthrene solubility data in saturated Solvents ...... 70 hydrocarbons (including cycloalkanes) . . . 131 7.1. Critical evaluation of experimental 11.3. Phenanthrene solubility data in aromatic solubility data ...... 70 hydrocarbons ...... 137 7.2. Dibenzothiophene solubility data in saturated 11.4. Phenanthrene solubility data in esters . . . . 138 hydrocarbons (including cycloalkanes) . . . . 70 11.5. Phenanthrene solubility data in ethers . . . . 139 7.3. Dibenzothiophene solubility data in esters. 72 11.6. Phenanthrene solubility data in haloalkanes, 7.4. Dibenzothiophene solubility data haloalkenes, and haloaromatic in miscellaneous organic solvents ...... 72 hydrocarbons ...... 140 8. Solubility of Fluoranthene in Organic Solvents . 74 11.7. Phenanthrene solubility data in alcohols. . 140 8.1. Critical evaluation of experimental 11.8. Phenanthrene solubility data in ketones . . 149 solubility data ...... 74 11.9. Phenanthrene solubility data in 8.2. Fluoranthene solubility data in saturated miscellaneous organic solvents ...... 150 hydrocarbons (including cycloalkanes) . . . . 75 12. Solubility of Phenothiazine in Organic Solvents 152 8.3. Fluoranthene solubility data in aromatic 12.1. Critical evaluation of experimental hydrocarbons...... 79 solubility data...... 152 8.4. Fluoranthene solubility data in esters...... 80 12.2. Phenothiazine solubility data in saturated 8.5. Fluoranthene solubility data in ethers . . . . . 81 hydrocarbons (including cycloalkanes) . . . 153 8.6. Fluoranthene solubility data in haloalkanes, 12.3. Phenothiazine solubility data in ethers . . . 156 haloalkenes, and haloaromatic hydrocarbons 81 12.4. Phenothiazine solubility data in alcohols . 158 8.7. Fluoranthene solubility data in alcohols . . . 84 12.5. Phenothiazine solubility data in 8.8. Fluoranthene solubility data in miscellaneous alkoxyalcohols ...... 165 organic solvents ...... 91 12.6. Phenothiazine solubility data in 9. Solubility of Fluorene in Organic Solvents..... 92 miscellaneous organic solvents ...... 167 9.1. Critical evaluation of experimental 13. Solubility of Pyrene in Organic Solvents ..... 168 solubility data ...... 92 13.1. Critical evaluation of experimental 9.2. Fluorene solubility data in saturated solubility data...... 168 hydrocarbons (including cycloalkanes) . . . . 93 13.2. Pyrene solubility data in saturated 9.3. Fluorene solubility data in aromatic hydrocarbons (including cycloalkanes) . . . 169 hydrocarbons...... 98 13.3. Pyrene solubility data in aromatic 9.4. Fluorene solubility data in esters ...... 99 hydrocarbons ...... 174 9.5. Fluorene solubility data in ethers...... 100 13.4. Pyrene solubility data in esters...... 176 9.6. Fluorene solubility data in haloalkanes, 13.5. Pyrene solubility data in ethers ...... 177 haloalkenes, and haloaromatic hydrocarbons 100 13.6. Pyrene solubility data in haloalkanes, 9.7. Fluorene solubility data in alcohols ...... 101 haloalkenes, and haloaromatic 9.8. Fluorene solubility data in ketones ...... 110 hydrocarbons ...... 180 9.9. Fluorene solubility data in miscellaneous 13.7. Pyrene solubility data in alcohols ...... 181 organic solvents ...... 110 13.8. Pyrene solubility data in alkoxyalcohols . 188 10. Solubility of Naphthalene in Organic Solvents. 113 13.9. Pyrene solubility data in ketones...... 189 10.1. Critical evaluation of experimental 13.10. Pyrene solubility data in miscellaneous solubility data...... 113 organic solvents...... 191 10.2. Naphthalene solubility data in saturated 14. Solubility of Thianthrene in Organic Solvents . 196 hydrocarbons (including cycloalkanes) . . . 114 14.1. Critical evaluation of experimental solubility data...... 196
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14.2. Thianthrene solubility data in saturated diphenylbenzene, fluoranthene, fluorene, indole, naphthacene, hydrocarbons (including cycloalkanes) . . . 196 naphthalene, perylene, phenanthrene, 1,10-phenanthroline, 14.3. Thianthrene solubility data in ethers . . . . . 198 phenothiazine, phenoxanthiin, phenoxazine, pyrene, thian- 14.4. Thianthrene solubility data in alcohols . . . 200 threne, thioxanthene, triphenylene, and xanthenes. The three 14.5. Thianthrene solubility data in miscellaneous volumes covered the published literature up to 1995, including organic solvents...... 206 several articles that were still in press at the time. 15. Solubility of Xanthene in Organic Solvents ... 207 This is the last part of the three-part series that updates the 15.1. Critical evaluation of experimental three earlier volumes on PAH and PAHaC solubilities. Part 1 solubility data...... 207 (Ref. 4) was devoted to solubilities in binary solvent mixtures, 15.2. Xanthene solubility data in saturated and incorporates compilations based on papers published in hydrocarbons (including cycloalkanes) . . . 207 the peer-reviewed scientific literature between 1995 to the end 15.3. Xanthene solubility data in ethers...... 211 of 2011. Part 2 (Ref. 5) dealt with solubilities of PAHs and 15.4. Xanthene solubility data in haloalkanes, PAHaCs dissolved in ternary solvent mixtures. Part 3 (the haloalkenes, and haloaromatic present paper) will focus on the organic mono-solvents (neat hydrocarbons ...... 213 organic solvents). To conserve space, data from the earlier 15.5. Xanthene solubility data in alcohols . . . . . 214 volumes will not be repeated here. 15.6. Xanthene solubility data in alkoxyalcohols 220 15.7. Xanthene solubility data in miscellaneous 1.2. Procedures used in critical evaluation organic solvents...... 221 of published solubility data 16. References ...... 222 The different concentration units that are used to express experimental solubility data, and the thermodynamic princi- List of Tables ples that govern solubility solid-liquid equilibria, were described in Part 1 of this volume.4 The only part of the earlier 1. Parameters of the Apelblat equation for describing discussion that will be repeated here pertains to the mathe- the solubility of acenaphthene in various organic matical representation of solubility data for crystalline non- solvents...... 5 electrolyte solutes as a function of temperature. 2. Parameters of the Apelblat equation for describing Published solubility data may be found for a given solute- the solubility of dibenzofuran in various organic solvent system measured at several different temperatures. solvents...... 65 The temperature variation can be critically evaluated using standard thermodynamic relationships based on the ideal mole 3. Parameters of the Apelblat equation for describing ideal soly fraction solubility of a solid solute, x1 in a liquid the solubility of fluorene in various organic solvents 92 6 4. Parameters of the Apelblat equation for describing solvent the solubility of naphthalene in various organic DH fus T DC T T x ideal soly ¼ 1 þ p;1 mp solvents...... 114 ln 1 RT 1 T R T λ mp 5. Parameters of the Buchowski h equation for describing the solubility of naphthalene in various DCp; T þ 1 mp ; ð Þ organic solvents...... 114 R ln T 1 6. Parameters of the Apelblat equation for describing ΔH fus the solubility of pyrene in various organic solvents 169 where 1 is the standard molar enthalpy of fusion of the solute at its normal melting point temperature, Tmp, ΔCp,1 is the difference in the molar heat capacities of the liquid and crystalline forms of the solute (i.e., ΔCp,1 ¼ Cp,liquid – Cp,solid) and R is the universal gas constant. Through suitable algebraic 1. Preface manipulations, Eq. (1) can be rearranged to give DH fus DC 1.1. Scope of this volume ideal soly 1 p;1 ln x1 ¼ þ ð1 þ ln TmpÞ 1 2 RTmp R Volumes 54, 58, and 59 (Ref. 3) in the IUPAC Solubility Data Series dealt with the solubility of polycyclic aromatic DH fus DC T 1 þ p;1 mp 1 hydrocarbons (PAHs) and polycyclic aromatic hetero-atom R R T compounds (PAHaCs) in both neat organic solvents and binary DCp; organic solvents. The specific solutes considered included: þ 1 ln T; ð2Þ acenaphthene, acridine, anthracene, benz[a]anthracene, benzo R [b]fluorene, benzo[ghi]perylene, benzo[a]pyrene, biphenyl, which has the generalized mathematical form of ′ 2,2 -bipyridine, buckminsterfullerene (C60), carbazole, chry- B sene, coronene, dibenz[a,h]anthracene, dibenzofuran, diben- x ¼ A þ þ C T: ð Þ ln 1 T ln 3 zothiophene, 1,2-diphenylbenzene, 1,3-diphenylbenzene, 1,4-
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Though derived for an ideal solution, Eq. (3) has been used (more commonly called methyl tert-butyl ether), 1,1′-oxy- successfully to describe solute solubility in many nonideal bisethane (also called diethyl ether), 2,2′-oxybispropane (also solutions. The equation is commonly referred to as the Mod- called diisopropyl ether), 3,7-dimethyl-1-octanol, butanone, ified Apelblat equation in the literature. methyl ethanoate, propanenitrile, butanenitrile, dimethyl sulf- The λh model, developed by Buchowski et al.,7,8 is oxide, and N-methylformamide. For the majority of the sol- vents studied by De Fina et al.9 and by Acree and Abraham10 λð1 x Þ 1 1 ln 1 þ 1 ¼ λh ; ð4Þ there is only the single experimental value, and it is not x1 T Tmp possible to perform a critical evaluation on most of the published data. a second popular mathematical representation for describing There does exist independent solubility data for ace- how the mole fraction solubility varies with solution tempera- naphthene in cyclohexane in Vol. 58 of the Solubility Data ture. In Eq. (4), T and T refer to the solution temperature and mp Series2 at temperatures slightly greater than 298.15 K. McLau- melting point temperature of the solute, respectively. The two glin and Zainal11 conducted acenaphthene solubility measure- model parameters, λ and h, are determined by least-squares ments from 308.7 to 334.0 K. Choi et al.12 subsequently analyses using the measured mole fraction solubilities. Experi- determined the solubility at 303.4–354.5 K. There is approxi- mental solubility data are considered to be internally consis- mately a 10%–15% relative deviation between the two inde- tent if the measured x values can be accurately described by 1 pendent sets of measurements. Analysis of the two datasets either Eq. (3) and/or Eq. (4). using Eq. (3) with C ¼ 0 gave the following two mathematical correlations: 2. Solubility of Acenaphthene in Organic : x ¼ : 5541 3 ; ð Þ Solvents ln 1 15 534 T 5 2.1. Critical evaluation of experimental : solubility data x ¼ : 4757 9 : ð Þ ln 1 13 202 T 6 Volume 58 in the IUPAC Solubility Data Series2 contained experimental solubility data for acenaphthene in three satu- The calculated equation coefficients reflect the differences rated hydrocarbons (octadecane, cyclohexane and decahydro- in the two datasets. Equations (5) and (6) provide a reasonably naphthene), in four aromatic hydrocarbons (benzene, accurate mathematical description of the experimental mole methylbenzene, 1,2-dimethylbenzene, and 1,2,3,4-tetrahydro- fraction solubilities in the respective dataset. Differences naphthalene), in two haloalkanes (trichloromethane and tetra- between the experimental data and values back-calculated chloromethane), in four alkanols (methanol, ethanol, 1- using Eqs. (5) and (6) were on the order of 3.6% or less. propanol, and 1-octanol) and in two miscellaneous organic Equations (5) and (6) give extrapolated values of x1 ¼ 0.04726 solvents (pyridine and thiophene). The majority of systems and x1 ¼ 0.006356 for the mole fraction solubility of ace- included measurements at several temperatures covering a 30 naphthene in cyclohexane at 298.15 K, which are both less to 40 K range. The compiled solubility data also included than the value of x1 ¼ 0.07043 that was reported by De Fina phase diagram information for binary 1,2,4,5-tetramethylben- et al.9 Differences in chemical purities and experimental zene + acenaphthene, naphthalene + acenaphthene, 2-methyl- methodologies were the likely causes of the deviations noted naphthalene + acenaphthene, 2,6-dimethylnaphthalene in the published solubility data for acenaphthene dissolved in + acenaphthene, 2,7-dimethylnaphthalene + acenaphthene, cyclohexane. anthracene + acenaphthene, phenanthrene + acenaphthene, Two groups have studied the solubility of acenaphthene fluorene + acenaphthene, chrysene + acenaphthene, fluor- as a function of temperature. Kotula and Marciniak13 pub- anthene + acenaphthene and 1,2,3,5-tetranitrobenzene + ace- lished solubility data for acenaphthene in four chlorinated naphthene mixtures. Solubility data contained in Vol. 58 will alkanes (trichloromethane, tetrachloromethane, 1,1- not be republished here. The listing above is provided so that dichloroethane, and 1,2-dichloroethane) and two chlori- readers will know what solubility data are available in the nated alkenes (trichloroethene and tetrachloroethene) from earlier volume for acenaphthene. 290to325K.HeandLiu14 employed a synthetic method to There have been several studies that reported solubility data measure the solubility of acenaphthene in ethanol, 2-pro- for acenaphthene dissolved in organic solvents after Vol. 58 panol, 1-butanol, and methylbenzene at ten different tem- was published in 1995. De Fina et al.9 determined the solu- peratures covering the range of 278–323 K. The bility of acenaphthene in 36 different organic solvents contain- experimental values determined by He and Liu14 for ace- ing ether-, carbonyl-, hydroxy-, ester-, methyl-, and tert-butyl naphthene in ethanol (x1 ¼ 0.01079), 2-propanol (x1 functional groups. The experimental measurements were per- ¼ 0.01197), and 1-butanol (x1 ¼ 0.02367) differ by an formed at the single temperature of 298.15 K and used to test average deviation of less than 5% from the measured values 9 the limitations and applications of predictive expressions of De Fina et al. (ethanol, x1 ¼ 0.01068; 2-propanol, x1 10 based on Mobile Order theory. Acree and Abraham mea- ¼ 0.01336; and 1-butanol, x1 ¼ 0.02373). Deviations of this sured acenaphthene solubilities at 298.15 K in 11 additional magnitude are often attributed to differences in chemical solvents, namely, squalane, 2-methoxy-2-methylpropane purities and experimental methodologies.
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TABLE 1. Parameters of the Apelblat equation for describing the solubility of acenaphthene in various organic solvents Solvent ABCMRD (%) Trichloromethane 7.354 2690.2 0 0.1 Tetrachloromethane 8.311 3041.8 0 0.7 1,1-Dichloroethane 8.086 2959.3 0 0.4 1,2-Dichloroethane 7.871 2885.7 0 0.1 Trichloroethene 7.480 2743.4 0 0.6 Tetrachloroethene 8.454 3099.4 0 0.1 Methylbenzenea 53.186 21.255 9.033 0.3 Ethanola 73.395 83.508 12.137 0.7 2-Propanola 71.517 512.22 12.081 0.7 1-Butanola 93.112 844.83 15.186 0.7 aNumerical values of the coefficients and the percent mean relative deviations were taken from He and Liu.14
The internal consistency of the chloroalkane and chloroalk- Auxiliary Information ene datasets of measured acenaphthene solubilities, as well as Method/Apparatus/Procedure: the He and Liu14 dataset, were assessed by curve-fitting the Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ measured mole fraction solubility data to Eq. (3). The numer- visible spectrophotometer. ical values of the equation coefficients (A, B, and C) are given Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium in Table 1, along with the mean relative deviation (MRD) was verified by several repetitive measurements and by approaching calculated according to Eq. (7) equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and XN x exp x calc diluted with methanol. Concentrations were determined by 1 1 1 MRD ¼ ; ð7Þ spectrophotometric measurements at 289 nm. N x exp i¼1 1 Source and Purity of Chemicals: where N is the number of experimental solubility measure- (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was ments in an individual solute-solvent data set. Examination of recrystallized several times from methanol. the numerical entries in the last column of Table 1 reveals that (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. the largest mean relative percent deviation between the back- Estimated Error: calculated values based on Eq. (3) and experimental data is Temperature: 0.1 K. only 0.7%,which is less than the experimental uncertainties in x1: 1.5% (relative error). the measured values. Results of the mathematical representa- tion analyses indicate that the experimental data for all ten acenaphthene-organic solvent systems are internally consistent. Components: Original Measurements: 9 The experimental solubility data for acenaphthene dis- (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, (2) Heptane; C7H16; [142-82-5] and W. E. Acree, Jr., Can. J. solved in the different organic solvents are in Secs. 2.2–2.10. Chem. 77, 1537 (1999). Variables: Prepared by: 2.2. Acenaphthene solubility data in saturated T/K ¼ 298.15 W. E. Acree, Jr. hydrocarbons (including cycloalkanes) Experimental Values
Components: Original Measurements: (1) Acenaphthene; C H ; [83-32-9] 9K. M. De Fina, T. L. Sharp, (s)a b c 12 10 x2 x2 x1 (2) Hexane; C H ; [110-54-3] and W. E. Acree, Jr., Can. J. 6 14 1.0000 0.9393 0.06075 Chem. 77, 1537 (1999). a (s) x2 : initial mole fraction of component 2 in the solution. Variables: Prepared by: b x2: mole fraction of component 2 in the saturated solution. T/K ¼ 298.15 W. E. Acree, Jr. c x1: mole fraction solubility of the solute.
Experimental Values
(s)a b c x2 x2 x1 1.0000 0.9481 0.05192 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
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Auxiliary Information Components: Original Measurements: 9 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Nonane; C9H20; [111-84-2] and W. E. Acree, Jr., Can. J. visible spectrophotometer. Chem. 77, 1537 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9279 0.07210 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves x2: mole fraction of component 2 in the saturated solution. c before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Excess solute and solvent were placed in amber glass bottles and allowed to (2) Octane; C8H18; [111-65-9] and W. E. Acree, Jr., Can. J. equilibrate for several days at constant temperature. Attainment of equilibrium Chem. 77, 1537 (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves 1.0000 0.9317 0.06826 before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 9 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Decane; C10H22; [124-18-5] and W. E. Acree, Jr., Can. J. visible spectrophotometer. Chem. 77, 1537 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9215 0.07852 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2: mole fraction of component 2 in the saturated solution. c sieves before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
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Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-7
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: 17 equilibrium from supersaturation. Aliquots of saturated solutions were (1) Acenaphthene; C12H10; [83-32-9] M. H. Abraham and W. E. transferred through a coarse filter into tared volumetric flasks, weighed and (2) Dodecane; C12H26; [112-40-3] Acree, Jr., New J. Chem. 28, diluted with methanol. Concentrations were determined by 1538 (2004). spectrophotometric measurements at 289 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.9120 0.08799 Temperature: 0.1 K. ax (s) x1: 1.5% (relative error). 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 17 (1) Acenaphthene; C12H10; [83-32-9] M. H. Abraham and W. E. Experimental values were reported as the logarithm of the (2) Undecane; C11H24; [1120-21-4] Acree, Jr., New J. Chem. 28, solute’s molar solubility in dodecane divided by the molar 1538 (2004). solubility in water. Mole fraction solubilities were provided by Variables: Prepared by: the authors of the paper. T/K ¼ 298.15 W. E. Acree, Jr. Auxiliary Information Experimental Values Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. (s)a b c x2 x2 x1 Excess solute and solvent were placed in amber glass bottles and allowed to 1.0000 0.9164 0.08355 equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching ax (s) 2 : initial mole fraction of component 2 in the solution. equilibrium from supersaturation. Aliquots of saturated solutions were bx 2: mole fraction of component 2 in the saturated solution. transferred through a coarse filter into tared volumetric flasks, weighed and cx : mole fraction solubility of the solute. 1 diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm.
Experimental values were reported as the logarithm of the Source and Purity of Chemicals: solute’s molar solubility in undecane divided by the molar (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was solubility in water. Mole fraction solubilities were provided by recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. the authors of the paper. Estimated Error: Auxiliary Information Temperature: 0.1 K. x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: 9 was verified by several repetitive measurements and by approaching (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, equilibrium from supersaturation. Aliquots of saturated solutions were (2) Hexadecane; C16H34; [544-76-3] and W. E. Acree, Jr., Can. J. transferred through a coarse filter into tared volumetric flasks, weighed and Chem. 77, 1537 (1999). diluted with methanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 289 nm. T/K ¼ 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-8 WILLIAM E. ACREE, JR.
Experimental Values The authors employed a sum of symmetrized functions (SSF) to describe the activity coefficients of acenaphthene x (s)a x b x c and hexatricontane calculated from the solid-liquid equili- 2 2 1 brium data. The SSF model gave a calculated eutectic tem- 1.0000 0.8935 0.1065 perature of T/K ¼ 343.4 and eutectic mole fraction of ax (s) 2 : initial mole fraction of component 2 in the solution. x ¼ b acenaphthene of 1 0.548. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Auxiliary Information Method/Apparatus/Procedure: Auxiliary Information Differential scanning calorimeter. The phase diagram was determined using a differential scanning calorimeter. / / Method Apparatus Procedure: Measurements were performed at a constant fixed scanning rate of 0.5 K/min. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Source and Purity of Chemicals: Excess solute and solvent were placed in amber glass bottles and allowed to (1) Pure Grade, Prolabo, no purification details were given in the paper. equilibrate for several days at constant temperature. Attainment of equilibrium (2) 98+%, Fluka Chemical Company, purification details were not given in the was verified by several repetitive measurements and by approaching paper. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Estimated Error: diluted with methanol. Concentrations were determined by Temperature: Authors state a global accuracy of 1% regarding their spectrophotometric measurements at 289 nm. measurements.
x1: 0.0002 (estimated by compiler). Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. Components: Original Measurements: 9 Estimated Error: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Temperature: 0.1 K. (2) Cyclohexane; C6H12; [110-82-7] and W. E. Acree, Jr., Can. J. Chem. 77, 1537 (1999). x1: 1.5% (relative error). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
Components: Original Measurements: 15 (1) Acenaphthene; C12H10; [83-32-9] A. Aoulmi, M. Bouroukba, Experimental Values (2) Hexatricontane; C36H74; [630-06-8] R. Solimando, and M. Rogalski, Fluid Phase x (s)a x b x c Equilib. 110, 283 (1995). 2 2 1 Variables: Prepared by: 1.0000 0.9296 0.07043 a (s) Temperature W. E. Acree, Jr. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Experimental Values
Auxiliary Information T x a x b /K 2 1 Method/Apparatus/Procedure: 350.30 1.0000 0.0000 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 348.89 0.8878 0.1122 visible spectrophotometer. 348.56 0.8482 0.1518 Excess solute and solvent were placed in amber glass bottles and allowed to 347.70 0.7926 0.2074 equilibrate for several days at constant temperature. Attainment of equilibrium 346.21 0.6886 0.3114 was verified by several repetitive measurements and by approaching 345.35 0.5931 0.4069 equilibrium from supersaturation. Aliquots of saturated solutions were 344.75 0.5537 0.4463 transferred through a coarse filter into tared volumetric flasks, weighed and 343.53 0.4629 0.5371 diluted with methanol. Concentrations were determined by 348.56 0.3953 0.6047 spectrophotometric measurements at 289 nm. 350.88 0.3005 0.6995 353.63 0.2517 0.7483 Source and Purity of Chemicals: 356.88 0.2029 0.7971 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 359.50 0.1510 0.8490 recrystallized several times from methanol. 362.12 0.1006 0.8994 (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves 365.35 0.0000 1.0000 before use. ax : mole fraction of component 2 in the saturated solution. 2 Estimated Error: bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-9
Auxiliary Information Components: Original Measurements: 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Method/Apparatus/Procedure: (2) Methylcyclohexane; C7H14; [108-87-2] and W. E. Acree, Jr., Can. J. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Chem. 77, 1537 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9191 0.08093 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before c x1: mole fraction solubility of the solute. use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 9 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2,2,4-Trimethylpentane; C8H18; and W. E. Acree, Jr., Can. J. was verified by several repetitive measurements and by approaching [540-84-1] Chem. 77, 1537 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 2 2 1 sieves before use. 1.0000 0.9533 0.04668 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, visible spectrophotometer. (2) Cyclooctane; C8H16; [292-64-8] and W. E. Acree, Jr., Can. J. Excess solute and solvent were placed in amber glass bottles and allowed to Chem. 77, 1537 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 289 nm.
Source and Purity of Chemicals: (s)a b c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9026 0.09739 (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves ax (s) 2 : initial mole fraction of component 2 in the solution. before use. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-10 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Method/Apparatus/Procedure: (2) tert-Butylcyclohexane; C10H20; and W. E. Acree, Jr., Can. J. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [3178-22-1] Chem. 77, 1537 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9224 0.07763 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 2.3. Acenaphthene solubility in aromatic visible spectrophotometer. hydrocarbons Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Components: Original Measurements: 14 transferred through a coarse filter into tared volumetric flasks, weighed and (1) Acenaphthene; C12H10; [83-32-9] F. He and P. Liu, J. Chem. diluted with methanol. Concentrations were determined by (2) Methylbenzene; C7H8; [108-88-8] Eng. Data 52, 2536 (2007). spectrophotometric measurements at 289 nm. Variables: Prepared by: Temperature W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: a b T/K x2 x1 Temperature: 0.1 K. 278.47 0.8958 0.1042 x : 1.5% (relative error). 1 283.33 0.8782 0.1218 288.10 0.8582 0.1418 293.15 0.8330 0.1670 298.23 0.8064 0.1936 Components: Original Measurements: 303.15 0.7761 0.2239 10 (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. 307.95 0.7441 0.2559 (2) Squalane; C30H62; [111-01-3] Abraham, Fluid Phase 312.95 0.7015 0.2985 Equilib. 201, 245 (2002). 318.30 0.6543 0.3457 Variables: Prepared by: 323.20 0.6016 0.3984 a T/K ¼ 298.15 W. E. Acree, Jr. x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction solubility of the solute.
Experimental Values The authors refer to the compound has 1,8-dihydroace- (s)a b c x2 x2 x1 naphthalene, which the compiler has taken to be acenaphthene. 1.0000 0.8572 0.1428 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-11
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Thermostated bath, thermometer. Very little experimental details were provided. Solubilities were determined by a synthetic method. Known masses of solute and solvent were placed in a dissolving flask. The solute and solvent mixture was stirred with a magnetic stirrer. Small amounts of solute were added at predetermined intervals until no Components: Original Measurements: 9 more solid would dissolve. The point at which no more solid would dissolve (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, was taken to be the point of solid-liquid equilibrium. The paper did not specify (2) Ethyl ethanoate; C4H8O2; [141-78-6] and W. E. Acree, Jr., Can. J. how the disappearance of the solid was monitored; however, the papers that the Chem. 77, 1537 (1999). authors referenced for the experimental method used a laser monitoring Variables: Prepared by: method. T/K ¼ 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 99.5%, Chemical source and purification method were not given. Experimental Values (2) 99.8%, Analytical Reagent Grade, Tianjin Kewei Company, China, no information given regarding any further purification. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.8914 0.1086 Temperature: 0.2 K. ax (s) x1: within 0.0200 (relative uncertainty). 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
2.4. Acenaphthene solubility data in esters
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 10 (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Methyl ethanoate; C3H6O2; [79-20-9] Abraham, Fluid Phase visible spectrophotometer. Equilib. 201, 245 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9290 0.07100 recrystallized several times from methanol. a (s) x2 : initial mole fraction of component 2 in the solution. (2) 99.9%, HPLC Grade, Aldrich Chemical Company, stored over molecular b x2: mole fraction of component 2 in the saturated solution. sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 9 visible spectrophotometer. (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Excess solute and solvent were placed in amber glass bottles and allowed to (2) Butyl ethanoate; C6H12O2; [123-86-4] and W. E. Acree, Jr., Can. J. equilibrate for several days at constant temperature. Attainment of equilibrium Chem. 77, 1537 (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: T ¼ transferred through a coarse filter into tared volumetric flasks, weighed and /K 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 289 nm.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.5%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-12 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ x (s)a x b x c 2 2 1 visible spectrophotometer. 1.0000 0.8630 0.1370 Excess solute and solvent were placed in amber glass bottles and allowed to a (s) equilibrate for several days at constant temperature. Attainment of equilibrium x2 : initial mole fraction of component 2 in the solution. b was verified by several repetitive measurements and by approaching x2: mole fraction of component 2 in the saturated solution. c equilibrium from supersaturation. Aliquots of saturated solutions were x1: mole fraction solubility of the solute. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 289 nm.
Auxiliary Information Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Method/Apparatus/Procedure: recrystallized several times from methanol. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular visible spectrophotometer. sieves before use. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Estimated Error: was verified by several repetitive measurements and by approaching Temperature: 0.1 K. equilibrium from supersaturation. Aliquots of saturated solutions were x : 1.5% (relative error). transferred through a coarse filter into tared volumetric flasks, weighed and 1 diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm.
Source and Purity of Chemicals: Components: Original Measurements: 10 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. ′ recrystallized several times from methanol. (2) 2,2 -Oxybispropane; C6H14O; Abraham, Fluid Phase (2) 99.7%, HPLC Grade, Aldrich Chemical Company, stored over molecular [108-20-3] Equilib. 201, 245 (2002). sieves before use. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Estimated Error: Temperature: 0.1 K. x 1: 1.5% (relative error). Experimental Values
(s)a b c x2 x2 x1 2.5. Acenaphthene solubility data in ethers 1.0000 0.9149 0.08505 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Components: Original Measurements: x1: mole fraction solubility of the solute. 10 (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. (2) 1,1′-Oxybisethane; C4H10O; [60-29-7] Abraham, Fluid Phase Equilib. 201, 245 (2002). Auxiliary Information / / Variables: Prepared by: Method Apparatus Procedure: T/K ¼ 298.15 W. E. Acree, Jr. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Experimental Values equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were (s)a b c transferred through a coarse filter into tared volumetric flasks, weighed and x2 x2 x1 diluted with 2-propanol. Concentrations were determined by 1.0000 0.8981 0.1019 spectrophotometric measurements at 289 nm. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Source and Purity of Chemicals: c x1: mole fraction solubility of the solute. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-13
Auxiliary Information Components: Original Measurements: 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Method/Apparatus/Procedure: (2) 1,1′-Oxybisbutane; C8H18O; and W. E. Acree, Jr., Can. J. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [142-96-1] Chem. 77, 1537 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.8884 0.1116 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 9 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, equilibrate for several days at constant temperature. Attainment of equilibrium (2) Tetrahydrofuran; C4H8O; and W. E. Acree, Jr., Can. J. was verified by several repetitive measurements and by approaching [109-99-9] Chem. 77, 1537 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 2 1 1.0000 0.8027 0.1973 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution; b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute
Components: Original Measurements: 10 Auxiliary Information (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. (2) 2-Methoxy-2-methylpropane; C5H12O; Abraham, Fluid Phase Method/Apparatus/Procedure: [1634-04-4] Equilib. 201, 245 (2002). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by (s)a b c spectrophotometric measurements at 289 nm. x2 x2 x1 1.0000 0.9081 0.0919 Source and Purity of Chemicals: a (s) x2 : initial mole fraction of component 2 in the solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was b x2: mole fraction of component 2 in the saturated solution. recrystallized several times from methanol. c x1: mole fraction solubility of the solute. (2) 99.9%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-14 WILLIAM E. ACREE, JR.
a b Components: Original Measurements: T/K x2 x1 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, 316.05 0.6861 0.3139 (2) 1,4-Dioxane; C4H8O2; [123-91-1] and W. E. Acree, Jr., Can. J. 319.45 0.6558 0.3442 Chem. 77, 1537 (1999). 321.45 0.6379 0.3621 Variables: Prepared by: 324.05 0.6124 0.3876 T/K ¼ 298.15 W. E. Acree, Jr. a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Experimental Values
(s)a b c x2 x2 x1 Auxiliary Information 1.0000 0.8585 0.1415 Method/Apparatus/Procedure: a (s) x2 : initial mole fraction of component 2 in the solution. Constant-temperature bath, electric glass furnace, heater, mercury b x2: mole fraction of component 2 in the saturated solution. thermometer. c x1: mole fraction solubility of the solute. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in a Pyrex test tube and sealed by a flexible rubber cap mounted on a calibrated mercury thermometer. The solute and solvent were heated using an electrical glass furnace equipped with a platinum resistor placed near the heater. Samples were agitated and the temperature at Auxiliary Information which the solid solute disappeared was observed against a dark screen by means of a stereoscopic microscope. Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Source and Purity of Chemicals: visible spectrophotometer. (1) Analytically pure, International Enzymes Limited, Windsor-Bershire, Excess solute and solvent were placed in amber glass bottles and allowed to England, recrystallized twice from distilled benzene and then from anhydrous equilibrate for several days at constant temperature. Attainment of equilibrium ethanol. was verified by several repetitive measurements and by approaching (2) 99.5+%, purchased from either Fluka or Aldrich Chemical Company, was equilibrium from supersaturation. Aliquots of saturated solutions were used as received. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Estimated Error: spectrophotometric measurements at 289 nm. Temperature: 0.3 K. x : < 1% (relative error). Source and Purity of Chemicals: 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use. Components: Original Measurements: 13 (1) Acenaphthene; C12H10; [83-32-9] I. Kotula and B. Marciniak, Estimated Error: (2) Tetrachloromethane; CCl4; [56-23-5] J. Chem. Eng. Data 46, 783 Temperature: 0.1 K. (2001). x : 1.5% (relative error). 1 Variables: Prepared by: Temperature W. E. Acree, Jr.
2.6. Acenaphthene solubility data in haloalkanes, Experimental Values haloalkenes, and haloaromatic hydrocarbons
a b T/K x2 x1 291.15 0.8805 0.1195 Components: Original Measurements: 13 298.85 0.8491 0.1509 (1) Acenaphthene; C H ; [83-32-9] I. Kotula and B. Marciniak, 12 10 302.65 0.8232 0.1768 (2) Trichloromethane; CHCl ; [67-66-3] J. Chem. Eng. Data 46, 783 3 306.65 0.8001 0.1999 (2001). 310.15 0.7750 0.2250 Variables: Prepared by: 316.95 0.7230 0.2770 Temperature W. E. Acree, Jr. 321.15 0.6860 0.3140 327.15 0.6279 0.3721 a x2: mole fraction of component 2 in the saturated solution. Experimental Values b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
a b T/K x2 x1 289.25 0.8575 0.1425 293.55 0.8364 0.1636 300.45 0.7979 0.2021 305.25 0.7678 0.2322 313.65 0.7057 0.2943
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-15
Auxiliary Information Source and Purity of Chemicals: (1) Analytically pure, International Enzymes Limited, Windsor-Bershire, / / Method Apparatus Procedure: England, recrystallized twice from distilled benzene and then from anhydrous Constant-temperature bath, electric glass furnace, heater, mercury ethanol. thermometer. (2) Purity not given, Polish Chemical Reagents, Glowice, Poland, was dried Solubilities were determined by a synthetic-dynamic method. Known masses over anhydrous sodium sulfate and then fractionally distilled. of solute and solvent were placed in a Pyrex test tube and sealed by a flexible rubber cap mounted on a calibrated mercury thermometer. The solute and Estimated Error: solvent were heated using an electrical glass furnace equipped with a platinum Temperature: 0.3 K. resistor placed near the heater. Samples were agitated and the temperature at x1: < 1% (relative error). which the solid solute disappeared was observed against a dark screen by means of a stereoscopic microscope.
Source and Purity of Chemicals: (1) Analytically pure, International Enzymes Limited, Windsor-Bershire, Components: Original Measurements: 13 England, recrystallized twice from distilled benzene and then from anhydrous (1) Acenaphthene; C12H10; [83-32-9] I. Kotula and B. Marciniak, ethanol. (2) 1,2-Dichloroethane; C2H4Cl2; J. Chem. Eng. Data 46, 783 (2) Purity not given, Polish Chemical Reagents, Gliwice, Poland, was dried [107-06-2] (2001). over anhydrous sodium sulfate and then fractionally distilled. Variables: Prepared by: Temperature W. E. Acree, Jr. Estimated Error: Temperature: 0.3 K. x 1: < 1% (relative error). Experimental Values
a b T/K x2 x1 Components: Original Measurements: 288.15 0.8828 0.1172 13 (1) Acenaphthene; C12H10; [83-32-9] I. Kotula and B. Marciniak, 290.85 0.8712 0.1288 (2) 1,1-Dichloroethane; C2H4Cl2; J. Chem. Eng. Data 46, 783 297.15 0.8413 0.1587 [75-34-3] (2001). 298.15 0.8362 0.1638 304.65 0.7981 0.2019 Variables: Prepared by: 314.45 0.7293 0.2707 Temperature W. E. Acree, Jr. 321.35 0.6700 0.3300 323.25 0.6522 0.3478 a Experimental Values x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
a b T/K x2 x1 288.65 0.8853 0.1147 290.15 0.8795 0.1205 Auxiliary Information 296.85 0.8479 0.1521 300.35 0.8292 0.1708 Method/Apparatus/Procedure: 305.35 0.7978 0.2022 Constant-temperature bath, electric glass furnace, heater, mercury 312.95 0.7469 0.2531 thermometer. 319.15 0.6962 0.3038 Solubilities were determined by a synthetic-dynamic method. Known masses 320.45 0.6805 0.3195 of solute and solvent were placed in a Pyrex test tube and sealed by a flexible 323.75 0.6528 0.3472 rubber cap mounted on a calibrated mercury thermometer. The solute and a solvent were heated using an electrical glass furnace equipped with a platinum x2: mole fraction of component 2 in the saturated solution. bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). resistor placed near the heater. Samples were agitated and the temperature at 1 which the solid solute disappeared was observed against a dark screen by means of a stereoscopic microscope.
Source and Purity of Chemicals: Auxiliary Information (1) Analytically pure, International Enzymes Limited, Windsor-Bershire, England, recrystallized twice from distilled benzene and then from anhydrous / / Method Apparatus Procedure: ethanol. Constant-temperature bath, electric glass furnace, heater, mercury (2) 99.5+%, purchased from either Fluka or Aldrich Chemical Company, was thermometer. used as received. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in a Pyrex test tube and sealed by a flexible Estimated Error: rubber cap mounted on a calibrated mercury thermometer. The solute and Temperature: 0.3 K. solvent were heated using an electrical glass furnace equipped with a platinum x1: < 1% (relative error). resistor placed near the heater. Samples were agitated and the temperature at which the solid solute disappeared was observed against a dark screen by means of a stereoscopic microscope.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-16 WILLIAM E. ACREE, JR.
a b Components: Original Measurements: T/K x2 x1 13 (1) Acenaphthene; C12H10; [83-32-9] I. Kotula and B. Marciniak, 301.25 0.8401 0.1599 (2) Trichloroethene; C2HCl3; [79-01-6] J. Chem. Eng. Data 46, 783 306.75 0.8082 0.1918 (2001). 311.75 0.7741 0.2259 Variables: Prepared by: 314.25 0.7556 0.2444 Temperature W. E. Acree, Jr. 319.85 0.7905 0.2905 322.15 0.6887 0.3113 a x2: mole fraction of component 2 in the saturated solution. Experimental Values b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
a b T/K x2 x1 289.15 0.8658 0.1342 292.35 0.8510 0.1490 Auxiliary Information 297.45 0.8248 0.1752 Method/Apparatus/Procedure: 306.15 0.7728 0.2272 Constant-temperature bath, electric glass furnace, heater, mercury 311.05 0.7380 0.2620 thermometer. 312.75 0.7254 0.2746 Solubilities were determined by a synthetic-dynamic method. Known masses 315.05 0.7069 0.2931 of solute and solvent were placed in a Pyrex test tube and sealed by a flexible 318.85 0.6752 0.3248 rubber cap mounted on a calibrated mercury thermometer. The solute and 322.85 0.6384 0.3616 solvent were heated using an electrical glass furnace equipped with a platinum a x2: mole fraction of component 2 in the saturated solution. resistor placed near the heater. Samples were agitated and the temperature at b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). which the solid solute disappeared was observed against a dark screen by means of a stereoscopic microscope.
Auxiliary Information Source and Purity of Chemicals: (1) Analytically pure, International Enzymes Limited, Windsor-Bershire, Method/Apparatus/Procedure: England, recrystallized twice from distilled benzene and then from anhydrous Constant-temperature bath, electric glass furnace, heater, mercury ethanol. thermometer. (2) 99.5+%, purchased from either Fluka or Aldrich Chemical Company, was Solubilities were determined by a synthetic-dynamic method. Known masses used as received. of solute and solvent were placed in a Pyrex test tube and sealed by a flexible rubber cap mounted on a calibrated mercury thermometer. The solute and Estimated Error: solvent were heated using an electrical glass furnace equipped with a platinum Temperature: 0.3 K. resistor placed near the heater. Samples were agitated and the temperature at x1: < 1% (relative error). which the solid solute disappeared was observed against a dark screen by means of a stereoscopic microscope.
Source and Purity of Chemicals: (1) Analytically pure, International Enzymes Limited, Windsor-Bershire, 2.7. Acenaphthene solubility data in alcohols England, recrystallized twice from distilled benzene and then from anhydrous ethanol. (2) 99.5+%, purchased from either Fluka or Aldrich Chemical Company, was Components: Original Measurements: 9 used as received. (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, (2) Methanol; CH4O; [67-56-1] and W. E. Acree, Jr., Can. J. Estimated Error: Chem. 77, 1537 (1999). Temperature: 0.3 K. Variables: Prepared by: x : < 1% (relative error). 1 T/K ¼ 298.15 W. E. Acree, Jr.
Experimental Values Components: Original Measurements: 13 (1) Acenaphthene; C12H10; [83-32-9] I. Kotula and B. Marciniak, [ ] 46 (s)a b c (2) Tetrachloroethene; C2Cl4; 127-18-4 J. Chem. Eng. Data , 783 x2 x2 x1 (2001). 1.0000 0.9946 0.00544 Variables: Prepared by: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature W. E. Acree, Jr. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Experimental Values
a b T/K x2 x1 288.15 0.9000 0.1000 292.45 0.8828 0.1172 297.65 0.8590 0.1410
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-17
Auxiliary Information Components: Original Measurements: 14 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] F. He and P. Liu, J. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Ethanol; C2H6O; [64-17-5] Eng. Data 52, 2536 (2007). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to Temperature W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. a b T/K x2 x1 Source and Purity of Chemicals: 278.10 0.9954 0.004622 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 283.53 0.9942 0.005785 recrystallized several times from methanol. 288.25 0.9929 0.007093 (2) 99.9+%, Aldrich Chemical Company, stored over molecular sieves before 293.25 0.9911 0.008913 use. 298.20 0.9892 0.010793 303.20 0.9867 0.013276 Estimated Error: 308.20 0.9835 0.016519 Temperature: 0.1 K. 313.05 0.9803 0.019700 318.25 0.9755 0.024486 x1: 1.5% (relative error). 323.15 0.9704 0.029553 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Components: Original Measurements: 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, (2) Ethanol; C2H6O; [64-17-5] and W. E. Acree, Jr., Can. J. The authors refer to the compound as 1,8-dihydroace- Chem. 77, 1537 (1999). naphthalene, which the compiler has taken to be acenaphthene. Variables: Prepared by: T ¼ /K 298.15 W. E. Acree, Jr. Auxiliary Information Method/Apparatus/Procedure: Experimental Values Thermostated bath, thermometer. Very little experimental details were provided. Solubilities were determined by a synthetic method. Known masses of solute and solvent were placed in a (s)a b c x2 x2 x1 dissolving flask. The solute and solvent mixture was stirred with a magnetic stirrer. Small amounts of solute were added at predetermined intervals until no 1.0000 0.9893 0.01068 more solid would dissolve. The point at which no more solid would dissolve ax (s) 2 : initial mole fraction of component 2 in the solution. was taken to be the point of solid-liquid equilibrium. The paper did not specify bx 2: mole fraction of component 2 in the saturated solution. how the disappearance of the solid was monitored; however, the papers that the cx 1: mole fraction solubility of the solute. authors referenced for the experimental method used a laser monitoring method.
Auxiliary Information Source and Purity of Chemicals: Method/Apparatus/Procedure: (1) 99.5%, Chemical source and purification method were not given. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 99.8%, Analytical Reagent Grade, Tianjin Kewei Company, China, no visible spectrophotometer. information given regarding any further purification. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Estimated Error: was verified by several repetitive measurements and by approaching Temperature: 0.2 K. x equilibrium from supersaturation. Aliquots of saturated solutions were 1: within 0.0200 (relative uncertainty). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Components: Original Measurements: 9 Source and Purity of Chemicals: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (2) 1-Propanol; C3H8O; [71-23-8] and W. E. Acree, Jr., Can. J. recrystallized several times from methanol. Chem. 77, 1537 (1999). (2) Absolute, Aaper Alcohol and Chemical Company, USA, stored over molecular sieves before use. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-18 WILLIAM E. ACREE, JR.
Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 x2 x1 sieves before use. 1.0000 0.9831 0.01686 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 14 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Acenaphthene; C12H10; [83-32-9] F. He and P. Liu, J. Chem. visible spectrophotometer. (2) 2-Propanol; C3H8O; [67-63-0] Eng. Data 52, 2536 (2007). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. a b T/K x2 x1 Source and Purity of Chemicals: 278.30 0.9953 0.004687 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 283.07 0.9941 0.005923 recrystallized several times from methanol. 288.33 0.9923 0.007701 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 293.20 0.9903 0.009671 sieves before use. 298.07 0.9880 0.011972 303.30 0.9848 0.015233 Estimated Error: 308.05 0.9811 0.018871 Temperature: 0.1 K. 312.95 0.9764 0.023581 x : 1.5% (relative error). 1 318.40 0.9698 0.030246 323.25 0.9628 0.037196 a x2: mole fraction of component 2 in the saturated solution. bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). Components: Original Measurements: 1 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, (2) 2-Propanol; C3H8O; [67-63-0] and W. E. Acree, Jr., Can. J. Chem. 77, 1537 (1999). The authors refer to the compound as 1,8-dihydroace- Variables: Prepared by: naphthalene, which the compiler has taken to be acenaphthene. T/K ¼ 298.15 W. E. Acree, Jr. Auxiliary Information / / Experimental Values Method Apparatus Procedure: Thermostated bath, thermometer. Very little experimental details were provided. Solubilities were determined x (s)a x b x c by a synthetic method. Known masses of solute and solvent were placed in a 2 2 1 dissolving flask. The solute and solvent mixture was stirred with a magnetic 1.0000 0.9866 0.01336 stirrer. Small amounts of solute were added at predetermined intervals until no a (s) x2 : initial mole fraction of component 2 in the solution. more solid would dissolve. The point at which no more solid would dissolve b x2: mole fraction of component 2 in the saturated solution. was taken to be the point of solid-liquid equilibrium. The paper did not specify c x1: mole fraction solubility of the solute. how the disappearance of the solid was monitored; however, the papers that the authors referenced for the experimental method used a laser monitoring method.
Source and Purity of Chemicals: Auxiliary Information (1) 99.5%, Chemical source and purification method were not given. Method/Apparatus/Procedure: (2) 99.8%, Analytical Reagent Grade, Tianjin Kewei Company, China, no Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ information given regarding any further purification. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Estimated Error: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature: 0.2 K. x was verified by several repetitive measurements and by approaching 1: within 0.0200 (relative uncertainty). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-19
a b Components: Original Measurements: T/K x2 x1 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, 313.20 0.9573 0.042705 (2) 1-Butanol; C4H10O; [71-36-3] and W. E. Acree, Jr., Can. J. 318.05 0.9475 0.052472 Chem. 77, 1537 (1999). 323.05 0.9361 0.063929 Variables: Prepared by: a x2: mole fraction of component 2 in the saturated solution. T/K ¼ 298.15 W. E. Acree, Jr. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Experimental Values The authors refer to the compound as 1,8-dihydroace- naphthalene, which the compiler has taken to be acenaphthene. (s)a b c x2 x2 x1 1.0000 0.9763 0.02373 Auxiliary Information ax (s) 2 : initial mole fraction of component 2 in the solution. Method/Apparatus/Procedure: bx 2: mole fraction of component 2 in the saturated solution. Thermostated bath, thermometer. cx 1: mole fraction solubility of the solute. Very little experimental details were provided. Solubilities were determined by a synthetic method. Known masses of solute and solvent were placed in a dissolving flask. The solute and solvent mixture was stirred with a magnetic stirrer. Small amounts of solute were added at predetermined intervals until no more solid would dissolve. The point at which no more solid would dissolve Auxiliary Information was taken to be the point of solid-liquid equilibrium. The paper did not specify Method/Apparatus/Procedure: how the disappearance of the solid was monitored; however, the papers that the Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ authors referenced for the experimental method used a laser monitoring visible spectrophotometer. method. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Source and Purity of Chemicals: was verified by several repetitive measurements and by approaching (1) 99.5%, Chemical source and purification method were not given. equilibrium from supersaturation. Aliquots of saturated solutions were (2) 99.8%, Analytical Reagent Grade, Tianjin Kewei Company, China, no transferred through a coarse filter into tared volumetric flasks, weighed and information given regarding any further purification. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Estimated Error: Temperature: 0.2 K.
Source and Purity of Chemicals: x1: within 0.0200 (relative uncertainty). (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8+%, HPLC Grade, Aldrich Chemical Company, stored over molecular sieves before use. Components: Original Measurements: 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Estimated Error: (2) 2-Butanol; C H O; [78-92-2] and W. E. Acree, Jr., Can. J. 4 10 Temperature: 0.1 K. Chem. 77, 1537 (1999). x1: 1.5% (relative error). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
Components: Original Measurements: 14 Experimental Values (1) Acenaphthene; C12H10; [83-32-9] F. He and P. Liu, J. Chem. (2) 1-Butanol; C4H10O; [71-36-3] Eng. Data 52, 2536 (2007). (s)a b c Variables: Prepared by: x2 x2 x1 Temperature W. E. Acree, Jr. 1.0000 0.9812 0.01877 a (s) x2 : initial mole fraction of component 2 in the solution. bx Experimental Values 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
a b T/K x2 x1 278.25 0.9899 0.010098 283.05 0.9878 0.012221 288.05 0.9846 0.015448 293.25 0.9810 0.018975 298.25 0.9763 0.023672 303.15 0.9710 0.028995 308.10 0.9651 0.034855
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-20 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 9 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-2-propanol; C4H10O; and W. E. Acree, Jr., Can. J. visible spectrophotometer. [75-65-0] Chem. 77, 1537 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9830 0.01705 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2: mole fraction of component 2 in the saturated solution. c use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Methyl-1-propanol; C4H10O; and W. E. Acree, Jr., Can. J. equilibrate for several days at constant temperature. Attainment of equilibrium [78-83-1] Chem. 77, 1537 (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, Arco Chemical Company, USA, stored over molecular sieves before 1.0000 0.9831 0.01691 use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 9 visible spectrophotometer. (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Pentanol; C5H12O; [71-41-0] and W. E. Acree, Jr., Can. J. equilibrate for several days at constant temperature. Attainment of equilibrium Chem. 77, 1537 (1999). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9682 0.03176 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular ax (s) sieves before use. 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-21
Auxiliary Information Components: Original Measurements: 9 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 3-Methyl-1-butanol; C5H12O; and W. E. Acree, Jr., Can. J. visible spectrophotometer. [123-51-3] Chem. 77, 1537 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9765 0.02347 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2: mole fraction of component 2 in the saturated solution. c use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Pentanol; C5H12O; [6032-29-7] and W. E. Acree, Jr., Can. J. equilibrate for several days at constant temperature. Attainment of equilibrium Chem. 77, 1537 (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9756 0.02443 sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 9 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-2-butanol; C5H12O; and W. E. Acree, Jr., Can. J. visible spectrophotometer. [75-85-4] Chem. 77, 1537 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9713 0.02867 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-22 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 9 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-1-pentanol; C6H14O; and W. E. Acree, Jr., Can. J. visible spectrophotometer. [105-30-6] Chem. 77, 1537 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9710 0.02904 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, visible spectrophotometer. (2) 1-Hexanol; C6H14O; [111-27-3] and W. E. Acree, Jr., Can. J. Excess solute and solvent were placed in amber glass bottles and allowed to Chem. 77, 1537 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9608 0.03922 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 9 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 4-Methyl-2-pentanol; C6H14O; and W. E. Acree, Jr., Can. J. visible spectrophotometer. [108-11-2] Chem. 77, 1537 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9745 0.02551 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-23
Auxiliary Information Components: Original Measurements: 9 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Octanol; C8H18O; [111-87-5] and W. E. Acree, Jr., Can. J. visible spectrophotometer. Chem. 77, 1537 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9491 0.05089 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, visible spectrophotometer. (2) 1-Heptanol; C7H16O; [111-70-6] and W. E. Acree, Jr., Can. J. Excess solute and solvent were placed in amber glass bottles and allowed to Chem. 77, 1537 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9538 0.04617 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before a (s) x2 : initial mole fraction of component 2 in the solution. use. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: 9 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, visible spectrophotometer. (2) 2-Ethyl-1-hexanol; C8H18O; and W. E. Acree, Jr., Can. J. Excess solute and solvent were placed in amber glass bottles and allowed to [104-76-7] Chem. 77, 1537 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 289 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9560 0.04402 a (s) (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-24 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 10 Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 3,7-Dimethyl-1-octanol; C10H22O; Abraham, Fluid Phase visible spectrophotometer. [106-21-8] Equilib. 201, 245 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9459 0.05410 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2: mole fraction of component 2 in the saturated solution. c use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer.
(1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr., unpublished data Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Decanol; C10H22O; [112-30-1] equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9332 0.06677 (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves a (s) x2 : initial mole fraction of component 2 in the solution. before use. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: 9 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, visible spectrophotometer. (2) 1,2-Ethanediol; C2H6O2; [107-21-1] and W. E. Acree, Jr., Can. J. Excess solute and solvent were placed in amber glass bottles and allowed to Chem. 77, 1537 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 289 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9988 0.001157 a (s) (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-25
Auxiliary Information Components: Original Measurements:
Method/Apparatus/Procedure: (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Propoxyethanol; C5H12O2; [2807-30-9] unpublished data. visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9392 0.06082 a (s) (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 : initial mole fraction of component 2 in the solution. b recrystallized several times from methanol. x2: mole fraction of component 2 in the saturated solution. c (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular x1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. 2.8. Acenaphthene solubility data in alkoxyalcohols Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Components: Original Measurements: transferred through a coarse filter into tared volumetric flasks, weighed and (1) Acenaphthene; C H ; [83-32-9] W. E. Acree, Jr., 12 10 diluted with methanol. Concentrations were determined by (2) 2-Ethoxyethanol; C H O ; [110-80-5] unpublished data. 4 10 2 spectrophotometric measurements at 289 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol Experimental Values (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: (s)a b c x2 x2 x1 Temperature: 0.1 K. x 1.0000 0.9544 0.04561 1: 1.5% (relative error). a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Components: Original Measurements:
(1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr., Auxiliary Information (2) 2-Isopropoxyethanol; C5H12O2; [109-59-1] unpublished data. Method/Apparatus/Procedure: Variables: Prepared by: T ¼ Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ /K 298.15 W. E. Acree, Jr. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Experimental Values was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were x (s)a x b x c transferred through a coarse filter into tared volumetric flasks, weighed and 2 2 1 diluted with methanol. Concentrations were determined by 1.0000 0.9400 0.05996 spectrophotometric measurements at 289 nm. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Source and Purity of Chemicals: c x1: mole fraction solubility of the solute. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-26 WILLIAM E. ACREE, JR.
Auxiliary Information 2.9. Acenaphthene solubility data in ketones Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 9 (1) Acenaphthene; C12H10; [83-32-9] K. M. De Fina, T. L. Sharp, equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2-Butanone; C4H8O; [78-93-3] and W. E. Acree, Jr., Can. J. was verified by several repetitive measurements and by approaching Chem. 77, 1537 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: T ¼ diluted with methanol. Concentrations were determined by /K 298.15 W. E. Acree, Jr. spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. x (s)a x b x c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 2 1 1.0000 0.8693 0.1307 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. b x2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr., (2) 2-Butoxyethanol; C6H14O2; [111-76-2] unpublished data. Method/Apparatus/Procedure: Variables: Prepared by: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T/K ¼ 298.15 W. E. Acree, Jr. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Experimental Values was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and (s)a b c diluted with methanol. Concentrations were determined by x2 x2 x1 spectrophotometric measurements at 289 nm. 1.0000 0.9352 0.06484 ax (s) 2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: bx 2: mole fraction of component 2 in the saturated solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was cx 1: mole fraction solubility of the solute. recrystallized several times from methanol. (2) 99.5+%, HPLC Grade, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x Method/Apparatus/Procedure: 1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium 2.10. Acenaphthene solubility data in miscellaneous was verified by several repetitive measurements and by approaching organic solvents equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 289 nm. Components: Original Measurements: 10 (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. Source and Purity of Chemicals: (2) Propanenitrile; C3H5N; [107-12-0] Abraham, Fluid Phase (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Equilib. 201, 245 (2002). recrystallized several times from anhydrous methanol. Variables: Prepared by: (2) 99+%, Acros Organics, USA, stored over anhydrous sodium sulfate and T/K ¼ 298.15 W. E. Acree, Jr. molecular sieves before use.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-27
Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2 x2 x1 use. 1.0000 0.9385 0.06154 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 10 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. visible spectrophotometer. (2) Dimethyl sulfoxide; C2H6OS; [67-68-5] Abraham, Fluid Phase Excess solute and solvent were placed in amber glass bottles and allowed to Equilib. 201, 245 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 289 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9641 0.03588 recrystallized several times from methanol. ax (s) (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. cx Estimated Error: 1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 10 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. visible spectrophotometer. (2) Butanenitrile; C4H7N; [109-74-0] Abraham, Fluid Phase Equilib. 201, 245 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 289 nm.
Source and Purity of Chemicals: x (s)a x b x c 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9026 0.09737 recrystallized several times from methanol. a (s) (2) 99.9%, HPLC Grade, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 10 visible spectrophotometer. (1) Acenaphthene; C12H10; [83-32-9] W. E. Acree, Jr. and M. H. N Excess solute and solvent were placed in amber glass bottles and allowed to (2) -Methylformamide; C2H5NO; Abraham, Fluid Phase equilibrate for several days at constant temperature. Attainment of equilibrium [123-39-7] Equilib. 201, 245 (2002). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 289 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-28 WILLIAM E. ACREE, JR.
Experimental Values acetic anhydride, dimethyl sulfoxide, nitrobenzene, aniline, pyridine, quinoline, thiophene, methoxybenzene, 1-methyl-2- N N N N x (s)a x b x c pyrrolidinone, , -dimethylformamide, , -dimethylaceta- 2 2 1 mide, tetramethylene sulfone, and tributyl phosphate). Except 1.0000 0.9854 0.01458 a (s) for a few select systems, the majority of the compiled solubility x2 : initial mole fraction of component 2 in the solution. b data was measured at either 293.15 or 298.15 K. Anthracene x2: mole fraction of component 2 in the saturated solution. c solubility measurements in octadecane covered the temperature x1: mole fraction solubility of the solute. range of 466–484 K, measurements in cyclohexane covered the temperature range from 298 to 402 K, measurements in tetra- Auxiliary Information hydronaphthalene covered the range from 324 to 385 K, mea- Method/Apparatus/Procedure: surements in benzene covered the range from 293 K to 364 K, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ measurements in methylbenzene covered the range from 293 to visible spectrophotometer. 333 K, measurements in 1,2,3,4-tetrahydronaphthalene covered Excess solute and solvent were placed in amber glass bottles and allowed to the range from 300 to 346 K, measurements in iodobenzene equilibrate for several days at constant temperature. Attainment of equilibrium covered the range from 305 to 320 K, measurements in nitro- was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were benzene covered the range from 286 to 313 K, measurements in transferred through a coarse filter into tared volumetric flasks, weighed and pyridinecovered the range from 293to359 K, andmeasurements diluted with 2-propanol. Concentrations were determined by in thiophene covered the range from 297 to 358 K. The compiled spectrophotometric measurements at 289 nm. solubility data also included phase diagram information for binary anthracene + acenaphthene, anthracene + chrysene, Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was anthracene + fluoranthene, and anthracene + 1,2,3,5-tetranitro- recrystallized several times from methanol. benzene mixtures. Solubility data contained in Vol. 58 will not be (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves republished here. The listing above is provided so that readers before use. will know what solubility data are available in the earlier volume for anthracene. Estimated Error: Temperature: 0.1 K. After Vol. 58 appeared in print, there have been several x1: 1.5% (relative error). experimental solubility studies involving anthracene dissolved in organic solvents. Acree and co-workers16–33 have measured the solubility of anthracene in four linear alkanes (nonane through dodecane), in two dialkylbenzenes (1,2-dimethylben- zene and 1,3-dimethylbenzene), in several primary (methanol, ethanol, 1-pentanol, 2-methyl-1-butanol, 1-hexanol, 2- 3. Solubility of Anthracene in Organic methyl-1-pentanol, 1-heptanol, 2-ethyl-1-hexanol, 1-decanol, Solvents 3,7-dimethyl-1-octanol, 1,2-ethanediol, and 2,2,2-trifluor- oethanol), three secondary (2-pentanol, 4-methyl-2-pentanol, 3.1. Critical evaluation of experimental and cyclopentanol) and one tertiary (2-methyl-2-propanol) solubility data alcohol(s), in four alkyl alkanoates (methyl ethanoate, propyl Volume 58 in the IUPAC Solubility Data Series2 contained ethanoate, pentyl ethanoate, and methyl butanoate), in three experimental solubility data for anthracene dissolved in 12 ethers (2,2′-oxybispropane, 2-methoxy-2-methylpropane, and saturated hydrocarbons (hexane, heptanes, octane, hexadecane, 1,1′-oxybis[2-methoxyethane]), in three chlorinated alkanes octadecane, cyclohexane, methylcyclohexane, cyclooctane, (dichloromethane, trichloromethane, and 1-chlorohexane) and 2,2,4-trimethylpentane, tert-butylcyclohexane, squalane, and three halogenated benzenes (chlorobenzene, fluorobenzene, decahydronaphthalene),infive aromatic hydrocarbons (benzene, and (trifluoromethyl)benzene), in five alkoxyalcohols methylbenzene, 1,4-dimethylbenzene, 4-isopropyl-1-methyl- (2-ethoxyethanol, 2-propoxyethanol, 2-isopropoxyethanol, benzene, and 1,2,3,4-tetrahydronaphthalene), in five alkyl 2-butoxyethanol, and 3-methoxy-1-butanol) and in several alkanoates (ethyl ethanoate, butyl ethanoate, dimethyl hexane- miscellaneous organic solvents (methyl acetoacetate, ethyl dioate, diethyl hexanedioate, and dibutyl oxalate), in two dialkyl acetoacetate, ethanenitrile, propanenitrile, butanenitrile, ben- ethers (1,1-oxybisethane and 1,1-oxybisbutane) and three cyclic zonitrile, N,N-dimethylformamide, N,N-dimethylacetamide, ethers (tetrahydrofuran, tetrahydropyrane and 1,4-dioxane), in morpholine, ethanolamine, propylene carbonate, hexanedinti- five haloalkanes (trichloromethane, tetrachloromethane, 1- trile (also called adiponitrile) and tributyl phosphate). The chlorobutane, 1,4-dichlorobutane, and iodoethane), one haloalk- authors measured the solubility at only 298.15 K, and for most ene (trichloroethene) and three haloaromatic hydrocarbons of the solvents there are no independent experimental mea- (chlorobenzene, bromobenzene, and iodobenzene), in eight surements to compare the numerical values against. alkanols (methanol, 1-propanol, 2-propanol, 1-butanol, 2-buta- Shayanfar et al.34 measured the solubility of anthracene in nol, 2-methyl-1-propanol, 3-methyl-1-butanol, and 1-octanol), binary 2,2,4-trimethylpentane + ethanol solvent mixtures at in two alkanones (propanone and 2-butanone), and in 15 mis- 298.2, 308.2, and 318.2 K. Since only three temperatures were cellaneous organic solvents (ethanenitrile, carbon disulfide, studied, it is not feasible to use the three-parameter Apelblat equation to assess the internal consistency of the authors’
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-29 experimental data since the equation would yield essentially a Auxiliary Information perfect fit. The observed mole fraction solubility of anthracene Method/Apparatus/Procedure: 34 in ethanol reported by Shayanfar et al., x1 ¼ 0.000505, is Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ approximately 9% larger than the value given by Roy et al.,16 visible spectrophotometer. x ¼ 0.000460. The anthracene samples used both solubility Excess solute and solvent were placed in amber glass bottles and allowed to 1 equilibrate for several days at constant temperature. Attainment of equilibrium et al.34 studies were recrystallized from propanone. Shayanfar was verified by several repetitive measurements and by approaching started with a sample having an initial purity of 96%. Roy equilibrium from supersaturation. Aliquots of saturated solutions were et al.16 started with a sample of much higher purity, 99+%. transferred through a coarse filter into tared volumetric flasks, weighed and Two research groups have determined phase diagrams for diluted with 2-propanol. Concentrations were determined by binary mixtures containing anthracene. Auolmi et al.15 mea- spectrophotometric measurements at 356 nm. sured the solid-liquid equilibria data for the anthracene + hex- Source and Purity of Chemicals: atricontane system by a differential scanning calorimetric (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was method. The authors employed a SSF to describe the activity recrystallized several times from propanone. coefficients of anthracene and hexatricontane calculated from (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves the solid-liquid equilibrium data. The SSF model gave a before use. T ¼ calculated eutectic temperature of /K 349.9 and eutectic Estimated Error: mole fraction of anthracene of x1 ¼ 0.038. Lisicki and Jam- Temperature: 0.1 K. 35 x ro´z reported solid-liquid equilibria data for binary mixtures 1: 1.5% (relative error). containing anthracene with N,N-dimethylacetamide, 1- methyl-2-pyrrolidone, and hexahydro-1-methyl-2H-azepin- 2-one (also called N-methyl-ε-caprolactam). The anthracene + N,N-dimethylformamide and anthracene + 1-methyl-2-pyr- Components: Original Measurements: (1) Anthracene; C H ; [120-12-7] 16L. E. Roy, C. E. Hernández, rolidone systems both exhibited simple eutectic behavior. The 14 10 (2) Decane; C10H22; [124-18-5] and W. E. Acree, Jr., published experimental liquidus curves for the latter three Polycyclic Aromat. Compd. anthracene systems did not indicate any outlier data points. 13, 105 (1999). The experimental solubility data for anthracene dissolved in Variables: Prepared by: the different organic solvents are given in Secs. 3.2–3.9. T/K ¼ 298.15 W. E. Acree, Jr.
3.2. Anthracene solubility data in saturated Experimental Values hydrocarbons (including cycloalkanes)
(s)a b c x2 x2 x1 1.0000 0.9977 0.002345 Components: Original Measurements: 16 ax (s) (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, 2 : initial mole fraction of component 2 in the solution. bx (2) Nonane; C9H20; [111-84-2] and W. E. Acree, Jr., 2: mole fraction of component 2 in the saturated solution. c Polycyclic Aromat. Compd. x1: mole fraction solubility of the solute. 13, 105 (1999). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Auxiliary Information
Experimental Values Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. (s)a b c Excess solute and solvent were placed in amber glass bottles and allowed to x2 x2 x1 equilibrate for several days at constant temperature. Attainment of equilibrium 1.0000 0.9979 0.002085 was verified by several repetitive measurements and by approaching a (s) x2 : initial mole fraction of component 2 in the solution. equilibrium from supersaturation. Aliquots of saturated solutions were b x2: mole fraction of component 2 in the saturated solution. transferred through a coarse filter into tared volumetric flasks, weighed and c x1: mole fraction solubility of the solute. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-30 WILLIAM E. ACREE, JR.
Components: Original Measurements: Experimental values were reported as the logarithm of the 17 (1) Anthracene; C14H10; [120-12-7] M. H. Abraham and W. E. solute’s molar solubility in dodecane divided by the molar (2) Undecane; C11H24; [1120-21-4] Acree, Jr., New J. Chem. 28, solubility in water. Mole fraction solubilities were provided by 1538 (2004). the authors of the paper. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Experimental Values visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium x (s)a x b x c 2 2 1 was verified by several repetitive measurements and by approaching 1.0000 0.9974 0.002585 equilibrium from supersaturation. Aliquots of saturated solutions were a (s) transferred through a coarse filter into tared volumetric flasks, weighed and x2 : initial mole fraction of component 2 in the solution. b diluted with 2-propanol. Concentrations were determined by x2: mole fraction of component 2 in the saturated solution. c spectrophotometric measurements at 356 nm. x1: mole fraction solubility of the solute. Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental values were reported as the logarithm of the recrystallized several times from propanone. solute’s molar solubility in undecane divided by the molar (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. solubility in water. Mole fraction solubilities were provided by the authors of the paper. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 15 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Anthracene; C14H10; [120-12-7] A. Aoulmi, M. Bouroukba, equilibrate for several days at constant temperature. Attainment of equilibrium (2) Hexatricontane; C36H74; [630-06-8] R. Solimando, and was verified by several repetitive measurements and by approaching M. Rogalski, Fluid Phase equilibrium from supersaturation. Aliquots of saturated solutions were Equilib. 110, 283 (1995). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with 2-propanol. Concentrations were determined by Temperature W. E. Acree, Jr. spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. a b T/K x2 x1 Estimated Error: 386.45 0.9004 0.0996 Temperature: 0.1 K. 409.41 0.8114 0.1886 432.38 0.6909 0.3091 x1: 1.5% (relative error). 450.01 0.5922 0.4078 461.12 0.4737 0.5263 468.21 0.3986 0.6014 474.51 0.2862 0.7138 Components: Original Measurements: 480.01 0.1978 0.8022 17 (1) Anthracene; C14H10; [120-12-7] M. H. Abraham and W. E. 483.46 0.0998 0.9002 (2) Dodecane; C12H26; [112-40-3] Acree, Jr., New J. Chem. 28, 488.46 0.0000 1.0000 1538 (2004). a x2: mole fraction of component 2 in the saturated solution. b Variables: Prepared by: x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). T/K ¼ 298.15 W. E. Acree, Jr.
Experimental Values The authors employed a SSF to describe the activity coeffi- cients of anthracene and hexatricontane calculated from the solid-liquid equilibrium data. The SSF model gave a calcu- x (s)a x b x c 2 2 1 lated eutectic temperature of T/K ¼ 349.9 and eutectic mole 1.0000 0.9972 0.002800 fraction of anthracene of x1 ¼ 0.038. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-31
Auxiliary Information 3.3. Anthracene solubility data in aromatic Method/Apparatus/Procedure: hydrocarbons Differential scanning calorimeter. Phase diagram was determined using a differential scanning calorimeter. Measurements were performed at a constant fixed scanning rate of 0.5 K/min. Components: Original Measurements: (1) Anthracene; C H ; [120-12-7] 16L. E. Roy, C. E. Hernández, and Source and Purity of Chemicals: 14 10 (2) 1,2-Dimethylbenzene; C H ; W. E. Acree, Jr., Polycyclic (1) 99.9%, Aldrich Chemical Company, Milwaukee, WI, USA, purification 8 10 [95-47-6] Aromat. Compd. 13, 105 (1999). details were not given in the paper. (2) 98+%, Fluka Chemical Company, purification details were not given in the Variables: Prepared by: paper. T/K ¼ 298.15 W. E. Acree, Jr.
Estimated Error: Temperature: Authors state a global accuracy of 1% regarding their Experimental Values measurements. x1: 0.0002 (estimated by compiler). (s)a b c x2 x2 x1 1.0000 0.9915 0.008458 a (s) x2 : initial mole fraction of component 2 in the solution. Components: Original Measurements: b x2: mole fraction of component 2 in the saturated solution. 34 c (1) Anthracene; C14H10; [120-12-7] A. Shayanfar, S. H. Eghrary, x1: mole fraction solubility of the solute. (2) 2,2,4-Trimethylpentane; C8H18; F. Sardari, W. E. Acree, Jr., [540-84-1] and A. Jouyban, J. Chem. Eng. Data 56, 2290 (2011). Auxiliary Information Variables: Prepared by: Method/Apparatus/Procedure: Temperature W. E. Acree, Jr. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Experimental Values equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were T x a x b /K 2 1 transferred through a coarse filter into tared volumetric flasks, weighed and 298.2 0.9988 0.001187 diluted with 2-propanol. Concentrations were determined by 308.2 0.9985 0.001515 spectrophotometric measurements at 356 nm. 318.2 0.9982 0.001768 Source and Purity of Chemicals: ax : mole fraction of component 2 in the saturated solution. 2 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 recrystallized several times from propanone. (2) 98+%, HPLC Grade, Aldrich Chemical Company, stored over molecular sieves before use.
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Incubator, shaker, and an ultraviolet/visible spectrophotometer. Solubility was determined by equilibrating an excess amount of solid naphthalene with the organic solvent using a shaker placed in an incubator equipped with a temperature controlling system. After an equilibration period Components: Original Measurements: of at least 48 h the samples were withdrawn and filtered through hydrophobic 16 Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and methanol. Concentrations were determined by spectrophotmetric analysis at (2) 1,3-Dimethylbenzene; C8H10; W. E. Acree, Jr., Polycyclic 356 nm. [108-38-3] Aromat. Compd. 13, 105 (1999). Variables: Prepared by: Source and Purity of Chemicals: T/K ¼ 298.15 W. E. Acree, Jr. (1) 96%, Fluka Chemical Company, was recrystallized several from propanone and ethyl ethanoate before use. (2) 99+%, Merck Chemicals, Germany, no information given regarding any Experimental Values further purification.
(s)a b c Estimated Error: x2 x2 x1 Temperature: 0.2 K. 1.0000 0.9920 0.007956 x1: 2.7% (relative uncertainty). a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-32 WILLIAM E. ACREE, JR.
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: 18 equilibrium from supersaturation. Aliquots of saturated solutions were (1) Anthracene; C14H10; [120-12-7] L. Alcazar, A. Blanco, R. Cano, transferred through a coarse filter into tared volumetric flasks, weighed and (2) Propyl ethanoate; C5H10O2; L. Fisher, M. Nau, L. Sidransky, diluted with 2-propanol. Concentrations were determined by [109-60-4] and W. E. Acree, Jr., J. Chem. spectrophotometric measurements at 356 nm. Eng. Data. 53, 201 (2008). Variables: Prepared by: Source and Purity of Chemicals: T/K ¼ 298.15 W. E. Acree, Jr. (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular Experimental Values sieves before use.
Estimated Error: (s)a b c x2 x2 x1 Temperature: 0.1 K. 1.0000 0.9941 0.00588 x1: 1.5% (relative error). a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. 3.4. Anthracene solubility data in esters
Components: Original Measurements: Auxiliary Information (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., Method/Apparatus/Procedure: (2) Methyl ethanoate; C3H6O2; [79-20-9] unpublished data. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by (s)a b c spectrophotometric measurements at 356 nm. x2 x2 x1 1.0000 0.9944 0.003639 Source and Purity of Chemicals: a (s) x2 : initial mole fraction of component 2 in the solution. (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was b x2: mole fraction of component 2 in the saturated solution. recrystallized several times from propanone. c x1: mole fraction solubility of the solute. (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x : 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1 visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: equilibrium from supersaturation. Aliquots of saturated solutions were (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., transferred through a coarse filter into tared volumetric flasks, weighed and (2) Pentyl ethanoate; C7H14O2; [628-63-7] unpublished data. diluted with 2-propanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 356 nm. T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. (2) 99.5%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-33
Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. (s)a b c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2 x2 x1 1.0000 0.9924 0.007547 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information 3.5. Anthracene solubility data in ethers Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 19 (1) Anthracene; C14H10; [120-12-7] M. Carrillo, M. Corella, K. Wolcott, equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2,2′-Oxybispropane; C6H14O; K. R. Bowen, and W. E. Acree, Jr., J. was verified by several repetitive measurements and by approaching [108-20-3] Chem. Eng. Data 52, 270 (2007). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: T ¼ diluted with 2-propanol. Concentrations were determined by /K 298.15 W. E. Acree, Jr. spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. x (s)a x b x c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 2 1 1.0000 0.9975 0.002515 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. b x2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Anthracene; C H ; [120-12-7] W. E. Acree, Jr., 14 10 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Methyl butanoate; C H O ; [623-42-7] unpublished data. 5 10 2 visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 356 nm. (s)a b c x2 x2 x1 1.0000 0.9941 0.005893 Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was ax (s) 2 : initial mole fraction of component 2 in the solution. recrystallized several times from propanone. bx 2: mole fraction of component 2 in the saturated solution. (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves cx 1: mole fraction solubility of the solute. before use.
Estimated Error: Temperature: 0.1 K. x : 1.5% (relative error). Auxiliary Information 1 Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to (1) Anthracene; C H ; [120-12-7] 20J. R. Powell, M. E. R. equilibrate for several days at constant temperature. Attainment of equilibrium 14 10 (2) 2-Methoxy-2-methylpropane; C H O; McHale, A.-S. M. Kauppila, was verified by several repetitive measurements and by approaching 5 12 [1634-04-4] and W. E. Acree, Jr., J. Chem. equilibrium from supersaturation. Aliquots of saturated solutions were Thermodyn. 28, 1215 (1996). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 356 nm. T/K ¼ 298.15 W. E. Acree, Jr.
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Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-34 WILLIAM E. ACREE, JR.
Experimental Values Source and Purity of Chemicals: (1) 99.9+%, Acros Organics, USA, was recrystallized several times from propanone. (s)a b c (2) 99.5%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, x2 x2 x1 was stored over molecular sieves before use. 1.0000 0.9969 0.003050 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: 3.6. Anthracene solubility data in haloalkanes, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ haloalkenes, and haloaromatic hydrocarbons visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: 16 equilibrium from supersaturation. Aliquots of saturated solutions were (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and transferred through a coarse filter into tared volumetric flasks, weighed and (2) Dichloromethane; CH2Cl2; W. E. Acree, Jr., Polycyclic diluted with methanol. Concentrations were determined by [75-09-2] Aromat. Compd. 13, 105 (1999). spectrophotometric measurements at 356 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 99.9+%, Gold Label, Aldrich Chemical Company, Milwaukee, WI, USA, was used as received. Experimental Values (2) 99.9+%, Arco Chemical Company, USA, was stored over anhydrous sodium sulfate and molecular sieves before being fractionally distilled. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.9061 0.009387 Temperature: 0.1 K. ax (s) x1: 1.8% (relative error). 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 21 Auxiliary Information (1) Anthracene; C14H10; [120-12-7] K. S. Coym, L. E. Roy, C. E. (2) 1,1′-Oxybis[2-methoxyethane]; Hernández, and W. E. Acree, Jr., Method/Apparatus/Procedure:
C6H14O3; [111-96-6] Chem. Eng. Commun. 162, 215 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1997). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9886 0.01139 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from propanone. b x2: mole fraction of component 2 in the saturated solution. (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: 16 was verified by several repetitive measurements and by approaching (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and equilibrium from supersaturation. Aliquots of saturated solutions were (2) Trichloromethane; CHCl3; W. E. Acree, Jr., Polycyclic transferred through a coarse filter into tared volumetric flasks, weighed and [67-66-3] Aromat. Compd. 13, 105 (1999). diluted with methanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 356 nm. T/K ¼ 298.15 W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-35
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ x (s)a x b x c 2 2 1 visible spectrophotometer. 1.0000 0.9892 0.01084 Excess solute and solvent were placed in amber glass bottles and allowed to a (s) equilibrate for several days at constant temperature. Attainment of equilibrium x2 : initial mole fraction of component 2 in the solution. b was verified by several repetitive measurements and by approaching x2: mole fraction of component 2 in the saturated solution. c equilibrium from supersaturation. Aliquots of saturated solutions were x1: mole fraction solubility of the solute. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm.
Auxiliary Information Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was Method/Apparatus/Procedure: recrystallized several times from propanone. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Estimated Error: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature: 0.1 K. was verified by several repetitive measurements and by approaching x : 1.5% (relative error). equilibrium from supersaturation. Aliquots of saturated solutions were 1 transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Components: Original Measurements: 16 Source and Purity of Chemicals: (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was (2) Chlorobenzene; C6H5Cl; W. E. Acree, Jr., Polycyclic recrystallized several times from propanone. [108-90-7] Aromat. Compd. 13, 105 (1999). (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, was shaken several Variables: Prepared by: times with an aqueous sodium hydroxide solution and then with distilled water T/K ¼ 298.15 W. E. Acree, Jr. to remove the ethanol stabilizer. The resulting solution was dried over both anhydrous calcium chloride and molecular sieves, and then distilled shortly before use. Experimental Values
Estimated Error: Temperature: 0.1 K. (s)a b c x2 x2 x1 x1: 1.5% (relative error). 1.0000 0.9900 0.009962 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. cx Components: Original Measurements: 1: mole fraction solubility of the solute. 16 (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and (2) 1-Chlorohexane; C6H13Cl; W. E. Acree, Jr., Polycyclic [544-10-5] Aromat. Compd. 13, 105 (1999). Auxiliary Information Variables: Prepared by: Method/Apparatus/Procedure: T/K ¼ 298.15 W. E. Acree, Jr. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Experimental Values equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were (s)a b c x2 x2 x1 transferred through a coarse filter into tared volumetric flasks, weighed and 1.0000 0.9928 0.007177 diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. a (s) x2 : initial mole fraction of component 2 in the solution. bx 2: mole fraction of component 2 in the saturated solution. Source and Purity of Chemicals: cx 1: mole fraction solubility of the solute. (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. (2) 99.9%, HPLC Grade, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-36 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 22 (1) Anthracene; C14H10; [120-12-7] M. H. Abraham, W. E. Acree, Method/Apparatus/Procedure: (2) Fluorobenzene; C6H5F; [462-06-6] Jr., A. J. Leo, and D. Hoekman, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ New J. Chem. 33, 1685 (2009). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9932 0.006764 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from propanone. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x : 1.5% (relative error). The experimental value was reported as the logarithm of 1 anthracene’s molar solubility in fluorobenzene dissolved by the solute’s molar solubility in water. Experimental mole fraction solubility was obtained from the authors. 3.7. Anthracene solubility data in alcohols
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: 16 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and visible spectrophotometer. (2) Methanol; CH4O; [67-56-1] W. E. Acree, Jr., Polycyclic Excess solute and solvent were placed in amber glass bottles and allowed to Aromat. Compd. 13, 105 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9998 0.000243 recrystallized several times from propanone. a (s) (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information
Components: Original Measurements: Method/Apparatus/Procedure:
(1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) (Trifluoromethyl)benzene; C7H5F3; unpublished data. visible spectrophotometer. [98-08-8] Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T ¼ /K 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: x (s)a x b x c 2 2 1 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9961 0.003864 recrystallized several times from propanone. a (s) (2) 99.9+%, Aldrich Chemical Company, stored over molecular sieves before x2 : initial mole fraction of component 2 in the solution. b use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-37
Estimated Error: Experimental Values Temperature: 0.1 K. x1: 1.5% (relative error). a b T/K x2 x1 298.2 0.9995 0.000505 308.2 0.9993 0.000665 Components: Original Measurements: 318.2 0.9992 0.000780 (1) Anthracene; C H ; [120-12-7] 16L. E. Roy, C. E. Hernández, and 14 10 ax : mole fraction of component 2 in the saturated solution. (2) Ethanol; C H O; [64-17-5] W. E. Acree, Jr., Polycyclic 2 2 6 bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). Aromat. Compd. 13, 105 (1999). 1 Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
Auxiliary Information Experimental Values Method/Apparatus/Procedure: Incubator, shaker, and an ultraviolet/visible spectrophotometer. Solubility was determined by equilibrating an excess amount of solid x (s)a x b x c 2 2 1 naphthalene with the organic solvent using a shaker placed in an incubator 1.0000 0.9995 0.000460 equipped with a temperature controlling system. After an equilibration period a (s) of at least 48 h the samples were withdrawn and filtered through hydrophobic x2 : initial mole fraction of component 2 in the solution. b Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with x2: mole fraction of component 2 in the saturated solution. c methanol. Concentrations were determined by spectrophotmetric analysis at x1: mole fraction solubility of the solute. 356 nm.
Source and Purity of Chemicals: (1) 96%, Fluka Chemical Company, was recrystallized several from Auxiliary Information propanone and ethyl ethanoate before use. (2) 99+%, Absolute, Merck Chemicals, Germany, no information given / / Method Apparatus Procedure: regarding any further purification. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Estimated Error: Excess solute and solvent were placed in amber glass bottles and allowed to Temperature: 0.2 K. equilibrate for several days at constant temperature. Attainment of equilibrium x1: 2.7% (relative uncertainty). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Components: Original Measurements: 23 (1) Anthracene; C14H10; [120-12-7] K. M. De Fina, T. T. Van, A. Source and Purity of Chemicals: (2) 2-Methyl-2-propanol; C4H10O; Ibarra, E. Hamilton, J. Martinez, (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was [75-65-0] A. Valdez, and W. E. Acree, Jr., recrystallized several times from propanone. Phys. Chem. Liq. 39, 249 (2001). (2) Absolute, Aaper Alcohol and Chemical Company, USA, stored over Variables: Prepared by: molecular sieves before use. T/K ¼ 298.15 W. E. Acree, Jr.
Estimated Error: Temperature: 0.1 K. Experimental Values x1: 1.5% (relative error).
(s)a b c x2 x2 x1 1.0000 0.9996 0.000430 Components: Original Measurements: ax (s): initial mole fraction of component 2 in the solution. (1) Anthracene; C H ; [120-12-7] 34A. Shayanfar, S. H. Eghrary, F. 2 14 10 bx : mole fraction of component 2 in the saturated solution. (2) Ethanol; C H O; [64-17-5] Sardari, W. E. Acree, Jr., and A. 2 2 6 cx : mole fraction solubility of the solute. Jouyban, J. Chem. Eng. Data 56, 1 2290 (2011). Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-38 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 24 Method/Apparatus/Procedure: (1) Anthracene; C14H10; [120-12-7] J. R. Powell, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Pentanol; C5H12O; [6032-29-7] A.-S. M. Kauppila, and W. E. visible spectrophotometer. Acree, Jr., J. Chem. Eng. Data 41, Excess solute and solvent were placed in amber glass bottles and allowed to 728 (1996). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99.9+%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as 2 2 1 received. 1.0000 0.9992 0.000800 a (s) (2) 99+%, Arco Chemical Company, USA, stored over molecular sieves and x2 : initial mole fraction of component 2 in the solution. b distilled shortly before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 24 (1) Anthracene; C14H10; [120-12-7] J. R. Powell, M. E. R. McHale, visible spectrophotometer. (2) 1-Pentanol; C5H12O; [71-41-0] A.-S. M. Kauppila, and W. E. Excess solute and solvent were placed in amber glass bottles and allowed to Acree, Jr., J. Chem. Eng. Data 41, equilibrate for several days at constant temperature. Attainment of equilibrium 728 (1996). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as x (s)a x b x c received. 2 2 1 (2) 99+%, Acros Organics, USA, stored over anhydrous sodium sulfate and 1.0000 0.9989 0.001097 molecular sieves before being fractionally distilled. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.3% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 25 visible spectrophotometer. (1) Anthracene; C14H10; [120-12-7] C. I. Monárrez, P. G. Taylor, Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Methyl-1-butanol; C5H12O; A. M. Tran, and W. E. Acree, Jr., J. equilibrate for several days at constant temperature. Attainment of equilibrium [137-32-6] Chem. Eng. Data 48, 1341 (2003). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Experimental Values
Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as (s)a b c x2 x2 x1 received. 1.0000 0.9992 0.000786 (2) 99%, Aldrich Chemical Company, stored over anhydrous sodium sulfate ax (s) and molecular sieves before being fractionally distilled. 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.3% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-39
Auxiliary Information Components: Original Measurements: 26 Method/Apparatus/Procedure: (1) Anthracene; C14H10; [120-12-7] J. R. Powell, K. A. Fletcher, K. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-1-pentanol; C6H14O; S. Coym, W. E. Acree, Jr., V. G. visible spectrophotometer. [105-30-6] Varanasi, and S. W. Campbell, Int. Excess solute and solvent were placed in amber glass bottles and allowed to J. Thermophys. 18, 1495 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from propanone. 1.0000 0.9990 0.000996 a (s) (2) 99+%, Aldrich Chemical Company, stored over molecular sieves and x2 : initial mole fraction of component 2 in the solution. b distilled shortly before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 16 (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and visible spectrophotometer. (2) 1-Hexanol; C6H14O; [111-27-3] W. E. Acree, Jr., Polycyclic Excess solute and solvent were placed in amber glass bottles and allowed to Aromat. Compd. 13, 105 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Acros Organics, USA, was recrystallized several times from 2 2 1 propanone before use. 1.0000 0.9985 0.001483 (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over a (s) x2 : initial mole fraction of component 2 in the solution. anhydrous sodium sulfate and molecular sieves before being fractionally b x2: mole fraction of component 2 in the saturated solution. distilled. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 24 visible spectrophotometer. (1) Anthracene; C14H10; [120-12-7] J. R. Powell, M. E. R. McHale, Excess solute and solvent were placed in amber glass bottles and allowed to (2) 4-Methyl-2-pentanol; C6H14O; A.-S. M. Kauppila, and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium [108-11-2] Acree, Jr., J. Chem. Eng. Data 41, was verified by several repetitive measurements and by approaching 728 (1996). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. x (s)a x b x c (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. 2 2 1 1.0000 0.9992 0.000779 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-40 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 27 Method/Apparatus/Procedure: (1) Anthracene; C14H10; [120-12-7] J. R. Powell, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Ethyl-1-hexanol; C8H18O; A.-S. M. Kauppila, P. Otero, M. visible spectrophotometer. [104-76-7] Jayasekera, and W. E. Acree, Jr., J. Excess solute and solvent were placed in amber glass bottles and allowed to Chem. Eng. Data 40, 1270 (1995). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as 2 2 1 received. 1.0000 0.9986 0.001397 a (s) (2) 99+%, Acros Organics, USA, stored over anhydrous sodium sulfate and x2 : initial mole fraction of component 2 in the solution. b molecular sieves before being fractionally distilled. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.3% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 16 (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and visible spectrophotometer. (2) 1-Heptanol; C7H16O; [111-27-3] W. E. Acree, Jr., Polycyclic Excess solute and solvent were placed in amber glass bottles and allowed to Aromat. Compd. 13, 105 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 99.9+%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as 2 2 1 received. 1.0000 0.9981 0.001869 (2) 99+%, Aldrich Chemical Company, stored over anhydrous sodium sulfate a (s) x2 : initial mole fraction of component 2 in the solution. and molecular sieves before being fractionally distilled. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.3% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: 28 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr. and M. H. visible spectrophotometer. (2) 1-Decanol; C10H22O; [112-30-1] Abraham, Can. J. Chem. 79, Excess solute and solvent were placed in amber glass bottles and allowed to 1466 (2001). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from propanone. 1.0000 0.9966 0.003433 a (s) (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-41
The experimental value was reported as the molar solubility Estimated Error: Temperature: 0.1 K. of anthracene in 1-decanol. Mole fraction solubility was x1: 1.5% (relative error). provided by the authors of the paper.
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Anthracene; C H ; [120-12-7] 16L. E. Roy, C. E. Hernández, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 14 10 (2) Cyclopentanol; C H O; [96-41-3] W. E. Acree, Jr., Polycyclic visible spectrophotometer. 5 10 Aromat. Compd. 13, 105 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9987 0.001330 recrystallized several times from propanone. ax (s) (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. cx Estimated Error: 1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer.
(1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) 3,7-Dimethyl-1-octanol; C10H22O; unpublished data. equilibrate for several days at constant temperature. Attainment of equilibrium [106-21-8] was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T ¼ /K 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm.
Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. x (s)a x b x c 2 2 1 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 1.0000 0.9980 0.002001 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. c x1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 16 (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and Method/Apparatus/Procedure: (2) 1,2-Ethanediol; C2H6O2; [107-21-1] W. E. Acree, Jr., Polycyclic Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Aromat. Compd. 13, 105 (1999). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. (s)a b c x2 x2 x1 1.0000 0.9999 0.0000715 Source and Purity of Chemicals: a (s) (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 : initial mole fraction of component 2 in the solution. b recrystallized several times from propanone. x2: mole fraction of component 2 in the saturated solution. c (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves x1: mole fraction solubility of the solute. before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-42 WILLIAM E. ACREE, JR.
Auxiliary Information 3.8. Anthracene solubility data in alkoxyalcohols Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 29 (1) Anthracene; C14H10; [120-12-7] C. E. Hernández, L. E. Roy, T. equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2-Ethoxyethanol; C4H10O2; Deng, M. B. Tuggle, and W. E. Acree, was verified by several repetitive measurements and by approaching [110-80-5] Jr., Phys. Chem. Liq. 37, 677 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: T ¼ diluted with 2-propanol. Concentrations were determined by /K 298.15 W. E. Acree, Jr. spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. x (s)a x b x c (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before 2 2 1 use. 1.0000 0.9971 0.002921 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information
Components: Original Measurements: Method/Apparatus/Procedure: 16 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and visible spectrophotometer. (2) 2,2,2-Trifluoroethanol; C2H3F3O; W. E. Acree, Jr., Polycyclic [75-89-8] Aromat. Compd. 13, 105 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T ¼ /K 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: x (s)a x b x c 2 2 1 (1) 99+%, Acros Organics, USA, was recrystallized several times from 1.0000 0.9999 0.0000865 propanone. a (s) (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over x2 : initial mole fraction of component 2 in the solution. b molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x Auxiliary Information 1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to (1) Anthracene; C H ; [120-12-7] 30C. E. Hernández, L. E. Roy, G. D. equilibrate for several days at constant temperature. Attainment of equilibrium 14 10 (2) 2-Propoxyethanol; C H O ; Reddy, G. L. Martinez, A. Jackson, G. was verified by several repetitive measurements and by approaching 5 12 2 [2807-30-9] Brown, and W. E. Acree, Jr., Chem. equilibrium from supersaturation. Aliquots of saturated solutions were Eng. Commun. 169, 137 (1998). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 356 nm. T/K ¼ 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from propanone. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before (s)a b c use. x2 x2 x1 1.0000 0.9967 0.003343 Estimated Error: ax (s) Temperature: 0.1 K. 2 : initial mole fraction of component 2 in the solution. bx x : 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. 1 c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-43
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: 32 equilibrium from supersaturation. Aliquots of saturated solutions were (1) Anthracene; C14H10; [120-12-7] M. E. R. McHale, A.-S. M. transferred through a coarse filter into tared volumetric flasks, weighed and (2) 2-Butoxyethanol; C6H14O2; Kauppila, J. R. Powell, and W. E. diluted with methanol. Concentrations were determined by [111-76-2] Acree, Jr., J. Chem. Thermodyn. 28, spectrophotometric measurements at 356 nm. 209 (1996). Variables: Prepared by: Source and Purity of Chemicals: T/K ¼ 298.15 W. E. Acree, Jr. (1) 99+%, Acros Organics, USA, was recrystallized several times from propanone. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over Experimental Values molecular sieves before use.
Estimated Error: (s)a b c x2 x2 x1 Temperature: 0.1 K. 1.0000 0.9962 0.003785 x1: 1.5% (relative error). a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Components: Original Measurements: 31 (1) Anthracene; C14H10; [120-12-7] C. E. Hernández, L. E. Roy, G. D. (2) 2-Isopropoxyethanol; C5H12O2; Reddy, G. L. Martinez, A. Jackson, G. [109-59-1] Brown, T. L. Borders, J. T. Sanders, Auxiliary Information and W. E. Acree, Jr., Phys. Chem. Liq. / / 36, 257 (1998). Method Apparatus Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by x (s)a x b x c 2 2 1 spectrophotometric measurements at 356 nm. 1.0000 0.9969 0.003093 a (s) Source and Purity of Chemicals: x2 : initial mole fraction of component 2 in the solution. b (1) 99.9+%, Gold Label, Aldrich Chemical Company, Milwaukee, WI, USA, x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. was used as received. 1 (2) 99+%, Acros Organics, USA, stored over anhydrous sodium sulfate and molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: 33 was verified by several repetitive measurements and by approaching (1) Anthracene; C14H10; [120-12-7] C. E. Hernández, L. E. Roy, G. equilibrium from supersaturation. Aliquots of saturated solutions were (2) 3-Methoxy-1-butanol; C5H12O2; D. Reddy, T. L. Borders, J. T. transferred through a coarse filter into tared volumetric flasks, weighed and [2517-43-3] Sanders, and W. E. Acree, Jr., diluted with methanol. Concentrations were determined by Phys. Chem. Liq. 37, 31 (1998). spectrophotometric measurements at 356 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 99+%, Acros Organics, USA, was recrystallized several times from propanone. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-44 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ x (s)a x b x c 2 2 1 visible spectrophotometer. 1.0000 0.9973 0.002702 Excess solute and solvent were placed in amber glass bottles and allowed to a (s) equilibrate for several days at constant temperature. Attainment of equilibrium x2 : initial mole fraction of component 2 in the solution. b was verified by several repetitive measurements and by approaching x2: mole fraction of component 2 in the saturated solution. c equilibrium from supersaturation. Aliquots of saturated solutions were x1: mole fraction solubility of the solute. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm.
Auxiliary Information Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was Method/Apparatus/Procedure: recrystallized several times from propanone. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Estimated Error: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature: 0.1 K. was verified by several repetitive measurements and by approaching x : 1.5% (relative error). equilibrium from supersaturation. Aliquots of saturated solutions were 1 transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Components: Original Measurements:. 16 Source and Purity of Chemicals: (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and (1) 99+%, Acros Organics, USA, was recrystallized several times from (2) Ethyl acetoacetate; C6H10O3; W. E. Acree, Jr., Polycyclic propanone. [141-97-9] Aromat. Compd. 13, 105 (1999) (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over Variables: Prepared by: molecular sieves before use. T/K ¼ 298.15 W. E. Acree, Jr. Estimated Error: Temperature: 0.1 K. Experimental Values x1: 1.5% (relative error).
(s)a b c x2 x2 x1 1.0000 0.9955 0.004533 3.9. Anthracene solubility data in miscellaneous a (s) x2 : initial mole fraction of component 2 in the solution. organic solvents b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 16 (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and (2) Methyl acetoacetate; C H O ; W. E. Acree, Jr., Polycyclic 5 8 3 Auxiliary Information [105-45-3] Aromat. Compd. 13, 105 (1999). / / Variables: Prepared by: Method Apparatus Procedure: T/K ¼ 298.15 W. E. Acree, Jr. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Experimental Values equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were (s)a b c transferred through a coarse filter into tared volumetric flasks, weighed and x2 x2 x1 diluted with 2-propanol. Concentrations were determined by 1.0000 0.9968 0.003191 spectrophotometric measurements at 356 nm. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Source and Purity of Chemicals: c x1: mole fraction solubility of the solute. (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-45
Auxiliary Information Components: Original Measurements: 16 (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and Method/Apparatus/Procedure: (2) Ethanenitrile; C2H3N; [75-05-8] W. E. Acree, Jr., Polycyclic Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Aromat. Compd. 13, 105 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9992 0.000830 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from propanone. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) Butanenitrile; C4H7N; [109-74-0] unpublished data. equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 356 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from propanone. 1.0000 0.9955 0.004527 a (s) (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, USA, stored over x2 : initial mole fraction of component 2 in the solution. b molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., visible spectrophotometer. (2) Propanenitrile; C3H5N; [107-12-0] unpublished data. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9971 0.002879 recrystallized several times from propanone. a (s) x2 : initial mole fraction of component 2 in the solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-46 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 16 (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and Method/Apparatus/Procedure: (2) Benzonitrile; C7H5N; [100-47-0] W. E. Acree, Jr., Polycyclic Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Aromat. Compd. 13, 105 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9916 0.008426 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from propanone. b x2: mole fraction of component 2 in the saturated solution. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 16 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Anthracene; C14H10; [120-12-7] L. E. Roy, C. E. Hernández, and equilibrate for several days at constant temperature. Attainment of equilibrium (2) N,N-Dimethylacetamide; C4H9NO; W. E. Acree, Jr., Polycyclic was verified by several repetitive measurements and by approaching [127-19-5] Aromat. Compd. 13, 105 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. x (s)a x b x c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 2 1 1.0000 0.9873 0.01267 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Anthracene; C H ; [120-12-7] 16L. E. Roy, C. E. Hernández, and 14 10 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) N,N-Dimethylformamide; C H NO; W. E. Acree, Jr., Polycyclic 3 7 visible spectrophotometer. [111-84-2] Aromat. Compd. 13, 105 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9922 0.007839 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) recrystallized several times from propanone. x2 : initial mole fraction of component 2 in the solution. b (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular x2: mole fraction of component 2 in the saturated solution. c sieves before use. x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-47
Components: Original Measurements: Experimental Values 35 (1) Anthracene; C14H10; [120-12-7] Z. Lisicki and M. E. Jamro´z, (2) N,N-Dimethylacetamide; C H NO; J. Chem. Thermodyn. 32, 4 9 T x a x b [127-19-5] 1335 (2000). /K 2 1 272.9 0.9892 0.0108 Variables: Prepared by: 296.3 0.9799 0.0201 Temperature W. E. Acree, Jr. 318.1 0.9700 0.0300 333.4 0.9497 0.0503 344.7 0.9395 0.0605 Experimental Values 361.2 0.9090 0.0910 381.3 0.8698 0.1302 393.7 0.8299 0.1701 T/K x a x b 2 1 403.7 0.7994 0.2006 299.5 0.9900 0.0100 418.0 0.9497 0.2503 318.3 0.9802 0.0198 438.7 0.6698 0.3302 332.2 0.9699 0.0301 451.1 0.5888 0.4112 350.3 0.9498 0.0502 461.4 0.4995 0.5005 363.1 0.9301 0.0699 471.0 0.3998 0.6002 378.9 0.8979 0.1021 477.5 0.2990 0.7010 398.6 0.8504 0.1496 ax : mole fraction of component 2 in the saturated solution. 408.7 0.8144 0.1856 2 bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 418.0 0.7760 0.2240 1 422.9 0.7506 0.2494 431.5 0.6991 0.3009 446.0 0.5989 0.4011 The authors reported that the binary system exhibits simple a T ¼ x2: mole fraction of component 2 in the saturated solution. eutectic behavior, with a eutectic temperature of /K 245.1 bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). as determined by calorimetric measurements. The eutectic composition was not determined.
The authors reported that the binary system exhibits simple Auxiliary Information eutectic behavior, with a eutectic temperature of T/K ¼ 250.3 Method/Apparatus/Procedure: as determined by calorimetric measurements. The eutectic Temperature-controlled heating/cooling system and a shaking-mixing system. composition was not determined. Synthetic mixtures of known compositions were weighed in small glass ampoules. The mixture composition was known to within 0.0002 mole Auxiliary Information fraction. Ampoules were cooled to very low temperatures of about 220 K, pumped down, and sealed. The sealed mixtures were then melted, cooled Method/Apparatus/Procedure: rapidly, and reheated. The rate of reheating was at an approximate rate of Temperature-controlled heating/cooling system and a shaking-mixing system. 8 10 5 K/s just before complete dissolution. The temperature at which the Synthetic mixtures of known compositions were weighed in small glass solid completely dissolved was recorded. The average of two or three ampoules. The mixture composition was known to within 0.0002 mole independent measurements was taken as the solid-liquid equilibrium. fraction. Ampoules were cooled to very low temperatures of about 220 K, pumped down, and sealed. The sealed mixtures were then melted, cooled Source and Purity of Chemicals: rapidly, and reheated. The rate of reheating was at an approximate rate of (1) 99.9%, Heybreck, Switzerland, was used as received. 5 8 10 K/s just before complete dissolution. The temperature at which the (2) Technical Grade, BASF, Federal Republic of Germany, was purified by solid completely dissolved was recorded. The average of two or three treatment with a 2% solution of potassium permanganate, and then distilled independent measurements was taken as the solid-liquid equilibrium. under reduced pressure to collect the distillate having 99.8% purity (mass percent). The purified sample was dried over molecular sieves. Source and Purity of Chemicals: (1) 99.9%, Heybreck, Switzerland, was used as received. Estimated Error: (2) Purest grade, Merck-Schuchardt, Federal Republic of Germany, was Temperature: 0.2 K (estimated by compiler). distilled under reduced pressure and dried over molecular sieves to produce a x1: 0.0002. sample of 99.9% purity (mass percent).
Estimated Error: Temperature: 0.2 K (estimated by compiler). x Components: Original Measurements: 1: 0.0002. 35 (1) Anthracene; C14H10; [120-12-7] Z. Lisicki and M. E. (2) Hexahydro-1-methyl-2H-azepin-2-one (N- Jamro´z, J. Chem.
Methyl-ε-caprolactam); C7H13NO; [2556-73-2] Thermodyn. 32, 1335 (2000). Components: Original Measurements: 35 Variables: Prepared by: (1) Anthracene; C14H10; [120-12-7] Z. Lisicki and M. E. Jamro´z, Temperature W. E. Acree, Jr. (2) 1-Methyl-2-pyrrolidone; C5H9NO; J. Chem. Thermodyn. 32, [872-50-4] 1335 (2000). Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-48 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T/K x a x b 2 1 visible spectrophotometer. 279.6 1.0000 0.0000 Excess solute and solvent were placed in amber glass bottles and allowed to 287.4 0.9905 0.0095 equilibrate for several days at constant temperature. Attainment of equilibrium 309.0 0.9696 0.0304 was verified by several repetitive measurements and by approaching 322.9 0.9601 0.0399 equilibrium from supersaturation. Aliquots of saturated solutions were 332.4 0.9491 0.0509 transferred through a coarse filter into tared volumetric flasks, weighed and 349.1 0.9281 0.0719 diluted with 2-propanol. Concentrations were determined by 356.1 0.9195 0.0805 spectrophotometric measurements at 356 nm. 364.3 0.9016 0.0984 377.8 0.8777 0.1223 Source and Purity of Chemicals: 389.4 0.8469 0.1531 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 405.5 0.7948 0.2052 recrystallized several times from propanone. 424.9 0.7004 0.2996 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 439.9 0.5993 0.4007 453.2 0.4999 0.5001 Estimated Error: 460.2 0.3990 0.6010 Temperature: 0.1 K.
466.6 0.3003 0.6997 x1: 1.5% (relative error). 472.9 0.2012 0.7988 480.1 0.0994 0.9006 489.4 0.0000 1.0000 ax 2: mole fraction of component 2 in the saturated solution. Components: Original Measurements: bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., (2) Ethanolamine; C2H7NO; [141-43-5] unpublished data. Auxiliary Information Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Temperature-controlled heating/cooling system and a shaking-mixing system. Synthetic mixtures of known compositions were weighed in small glass Experimental Values ampoules. The mixture composition was known to within 0.0002 mole fraction. Ampoules were cooled to very low temperatures of about 220 K, pumped down, and sealed. The sealed mixtures were then melted, cooled x (s)a x b x c rapidly, and reheated. The rate of reheating was at an approximate rate of 2 2 1 8 10 5 K/s just before complete dissolution. The temperature at which the 1.0000 0.9997 0.0002587 a (s) solid completely dissolved was recorded. The average of two or three x2 : initial mole fraction of component 2 in the solution. b independent measurements was taken as the solid-liquid equilibrium. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Source and Purity of Chemicals: (1) 99.9%, Heybreck, Switzerland, was used as received. (2) Technical Grade, Leuna Werke, Federal Republic of Germany, was purified by super-rectification and then dried over molecular sieves to give a sample having a purity of 99.9% by mass. Auxiliary Information Method/Apparatus/Procedure: Estimated Error: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Temperature: 0.2 K (estimated by compiler). visible spectrophotometer. x : 0.0002. 1 Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Components: Original Measurements: transferred through a coarse filter into tared volumetric flasks, weighed and (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., diluted with 2-propanol. Concentrations were determined by (2) Morpholine; C4H9NO; [110-91-8] unpublished data. spectrophotometric measurements at 356 nm. Variables: Prepared by: Source and Purity of Chemicals: T/K ¼ 298.15 W. E. Acree, Jr. (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from propanone. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. Experimental Values Estimated Error:
(s)a b c Temperature: 0.1 K. x2 x2 x1 x1: 1.5% (relative error). 1.0000 0.9918 0.008193 a (s) x2 : initial mole fraction of component 2 in the solution b x1: mole fraction solubility of the solute c x2: mole fraction of component 2 in the saturated solution.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-49
Auxiliary Information Components: Original Measurements:
(1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., Method/Apparatus/Procedure: (2) Propylene carbonate; C4H6O3; [108-32-7] unpublished data. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by (s)a b c spectrophotometric measurements at 356 nm. x2 x2 x1 1.0000 0.9979 0.002102 Source and Purity of Chemicals: a (s) x2 : initial mole fraction of component 2 in the solution. (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was b x2: mole fraction of component 2 in the saturated solution. recrystallized several times from propanone. c x1: mole fraction solubility of the solute. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements:
Excess solute and solvent were placed in amber glass bottles and allowed to (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) Tributyl phosphate; C12H27O4P; [126-73-8] unpublished data. was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from propanone. 2 2 1 (2) 99.7%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9850 0.01498 a (s) sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Anthracene; C14H10; [120-12-7] W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Hexanedinitrile; C6H8N2; [111-69-3] unpublished data. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 356 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9972 0.002801 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from propanone. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before c x1: mole fraction solubility of the solute. use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-50 WILLIAM E. ACREE, JR.
4. Solubility of Biphenyl in Organic system were in good agreement with calculated values assum- Solvents ing an ideal solution. In the case of the binary biphenyl + octadecane system, the authors noted that activity coefficients 4.1. Critical evaluation of experimental of the polycyclic aromatic hydrocarbon solute, calculated solubility data from the freezing point temperatures, differed by 2% from calculated values using Flory’s model with regular solution Volume 58 in the IUPAC Solubility Data Series2 residual contribution and a 2/3 exponent in the definition of the contained experimental solubility data for biphenyl in three volume fraction. linear alkanes (hexane, heptane and octane) and eight The experimental solubility data for biphenyl dissolved in cycloalkanes (cyclohexane, methylcyclohexane, cis-1,2- the different organic solvents are given in Secs. 4.2–4.7. dimethylcyclohexane, trans-1,2-dimethylcyclohexane, cis- 1,3-dimethylcyclohexane, cis-1,4-dimethylcyclohexane, trans-1,2-dimethylcyclohexane, and decahydronaphthalene), 4.2. Biphenyl solubility data in saturated in four aromatic hydrocarbons (benzene, methylbenzene, hydrocarbons (including cycloalkanes) ethylbenzene and 1,2,3,4-tetrahydronaphthalene), in one cyc- lic ether (1,4-dioxane), in six halogenated alkanes (dichlor- omethane, trichloromethane, tetrachloromethane, 1,2- Components: Original Measurements: 36 dibromethane, 1,1-dichloroethane, and 1,2-dichloroethane) (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and W. E. and two halogenated benzenes (chlorobenzene and hexachlor- (2) Nonane; C9H20; [111-84-2] Acree, Jr., Can. J. Chem. 77, 1589 (1999). obenzene), in one alkanol (1-octanol) and four miscellaneous Variables: Prepared by: organic solvents (carbon disulfide, pyridine, thiophene and T/K ¼ 298.15 W. E. Acree, Jr. nitrobenzene). For several of the solvents, the reporting authors made measurements at more than one temperature. Experimental Values Biphenyl solubility data in both hexane and octane covered the temperature range from 298 to 313 K, data in heptane, x (s)a x b x c cyclohexane, benzene, carbon tetrachloride, carbon disulfide, 2 2 1 pyridine, and thiophene covered the range from about 298 to 1.0000 0.8449 0.1551 ax (s) 335 K, data in decahydronaphthalene and 1,2,3,4-tetrahydro- 2 : initial mole fraction of component 2 in the solution. bx naphthalene covered the range from about 309 to 328 K, data in 2: mole fraction of component 2 in the saturated solution. cx 1,4-dioxane covered the range from 300 to 341 K, and data for 1: mole fraction solubility of the solute. hexafluorobenzene covered the range from 307 to 337 K. The compiled solubility data also included phase diagram Auxiliary Information information for binary biphenyl + tetracosane, biphenyl + Method/Apparatus/Procedure: octacosane, biphenyl + naphthalene, biphenyl + 2-methyl- Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ naphthalene, biphenyl + 2,6-dimethylnaphtalene, biphenyl + visible spectrophotometer. 1,2-diphenylethane, diphenyl + diphenyl ether, biphenyl + 1- Excess solute and solvent were placed in amber glass bottles and allowed to octadecanol, biphenyl + indole, biphenyl + diphenylamine, equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching and biphenyl + octadecanoic acid mixtures. Solubility data equilibrium from supersaturation. Aliquots of saturated solutions were contained in Vol. 58 will not be republished here. The listing transferred through a coarse filter into tared volumetric flasks, weighed and above is provided so that readers will know what solubility diluted with 2-propanol. Concentrations were determined by data are available in the earlier volume for biphenyl. spectrophotometric measurements at 250 nm. A search of the published chemical and engineering litera- Source and Purity of Chemicals: ture covering the period of 1995 to 2011 found only two (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was solubility studies involving biphenyl and one study reporting recrystallized several times from methanol. the phase diagrams for two binary systems containing biphe- (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves nyl. De Fina et al.36 determined the solubility of biphenyl at before use. 298.15 K in 26 different alkane, dialkyl ether and alcohol Estimated Error: solvents based on a spectrophotometric method. Grubbs Temperature: 0.1 K. et al.37 later measured the solubility of biphenyl in five x1: 1.5% (relative error). alkoxyalcohols (2-ethoxyethanol, 2-propoxyethanol, 2-iso- propoxyethanol, 2-butoxyethanol, and 3-methoxy-1-butanol) at 298.15 K. It is not possible to conduct a critical evaluation of these two sets of published biphenyl solubility data because Components: Original Measurements: 36 independent values are not available, and because the mea- (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and W. E. (2) Decane; C H ; [124-18-5] Acree, Jr., Can. J. Chem. 77, 1589 (1999). surements were performed at only a single temperature. Phase 10 22 diagrams of the binary biphenyl + octadecane and biphenyl + Variables: Prepared by: T ¼ naphthalene systems were reported by Mengarelli et al.38 /K 298.15 W. E. Acree, Jr. Freezing-point temperatures for the biphenyl + naphthalene
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s) (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2 x2 x1 1.0000 0.8364 0.1636 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 38 Method/Apparatus/Procedure: (1) Biphenyl; C12H10; [92-52-4] A. C. Mengarelli, S. B. Bottini, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Octadecane; C18H38; [593-45-3] and E. A. Brignole, J. Chem. Eng. visible spectrophotometer. Data 40, 746 (1995). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. a b T/K x2 x1 Source and Purity of Chemicals: 301.25 1.000 0.000 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 299.60 0.845 0.155 recrystallized several times from methanol. 299.12 0.775 0.225 (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves 298.81 0.754 0.246 before use. 298.77 0.748 0.252 298.57 0.734 0.266 Estimated Error: 303.86 0.708 0.292 Temperature: 0.1 K. 312.25 0.645 0.355 x : 1.5% (relative error). 1 317.60 0.586 0.414 324.95 0.476 0.524 328.75 0.378 0.622 332.22 0.288 0.712 Components: Original Measurements: 334.21 0.206 0.794 36 (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and 336.57 0.132 0.868 (2) Hexadecane; C16H34; [544-76-3] W. E. Acree, Jr., Can. J. Chem. 77, 338.77 0.063 0.937 1589 (1999). 341.62 0.000 1.000 ax Variables: Prepared by: 2: mole fraction of component 2 in the saturated solution. bx T/K ¼ 298.15 W. E. Acree, Jr. 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Experimental Values
Auxiliary Information x (s)a x b x c 2 2 1 Method/Apparatus/Procedure: 1.0000 0.7849 0.2151 Thermostatted liquid bath, platinum resistance thermometer, and a coiled wire driven by a small electrical motor to provide stirring. ax (s): initial mole fraction of component 2 in the solution. 2 A liquid mixture of known composition was prepared by mass and placed in a bx : mole fraction of component 2 in the saturated solution. 2 glass tube. The solution was slowly cooled until a solid phase appeared. The cx : mole fraction solubility of the solute. 1 temperature of the solution was recorded continuously with a platinum resistance thermometer. A break point in the temperature versus time curve indicated formation of a solid phase. The temperature at break point was taken to be the solid-liquid equilibrium temperature, and the composition of the Auxiliary Information solution gives the solubility of the crystalline solute in the liquid solvent. / / Method Apparatus Procedure: Source and Purity of Chemicals: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Chemical purity and source not given in the paper. visible spectrophotometer. (2) 97%, Aldrich Chemical Company, Milwaukee, WI, USA, purification Excess solute and solvent were placed in amber glass bottles and allowed to details were not given in the paper. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Estimated Error: equilibrium from supersaturation. Aliquots of saturated solutions were Temperature: 0.5 K. transferred through a coarse filter into tared volumetric flasks, weighed and x1: 0.002 (estimated by compiler). diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-52 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 36 (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Method/Apparatus/Procedure: (2) Cyclooctane; C8H16; [292-64-8] W. E. Acree, Jr., Can. J. Chem. 77, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1589 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.7806 0.2194 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves c x1: mole fraction solubility of the solute. before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 36 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and equilibrate for several days at constant temperature. Attainment of equilibrium (2) tert-Butylcyclohexane; C10H20; W. E. Acree, Jr., Can. J. Chem. 77, was verified by several repetitive measurements and by approaching [3178-22-1] 1589 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before 2 2 1 use. 1.0000 0.8260 0.1740 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Biphenyl; C H ; [92-52-4] 36K. M. De Fina, T. L. Sharp, and 12 10 visible spectrophotometer. (2) 2,2,4-Trimethylpentane; C H ; W. E. Acree, Jr., Can. J. Chem. 77, 8 18 Excess solute and solvent were placed in amber glass bottles and allowed to [540-84-1] 1589 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 250 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.8906 0.1094 recrystallized several times from methanol. a (s) (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2 : initial mole fraction of component 2 in the solution. b use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-53
4.3. Biphenyl solubility data in aromatic Experimental Values hydrocarbons
(s)a b c x2 x2 x1 1.0000 0.7340 0.2660 Components: Original Measurements: 38 ax (s): initial mole fraction of component 2 in the solution. (1) Biphenyl; C12H10; [92-52-4] A. C. Mengarelli, S. B. Bottini, 2 bx : mole fraction of component 2 in the saturated solution. (2) Naphthalene; C10H8; [91-20-3] and E. A. Brignole, J. Chem. Eng. 2 cx Data 40, 746 (1995). 1: mole fraction solubility of the solute. Variables: Prepared by: Temperature W. E. Acree, Jr.
Auxiliary Information Experimental Values Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. T/K x a x b 2 1 Excess solute and solvent were placed in amber glass bottles and allowed to 351.88 1.00 0.00 equilibrate for several days at constant temperature. Attainment of equilibrium 347.49 0.92 0.08 was verified by several repetitive measurements and by approaching 342.42 0.83 0.17 equilibrium from supersaturation. Aliquots of saturated solutions were 336.26 0.74 0.26 transferred through a coarse filter into tared volumetric flasks, weighed and 329.50 0.64 0.36 diluted with 2-propanol. Concentrations were determined by 321.50 0.55 0.45 spectrophotometric measurements at 250 nm. 317.69 0.50 0.50 312.20 0.44 0.56 Source and Purity of Chemicals: 316.15 0.39 0.61 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 320.99 0.34 0.66 recrystallized several times from methanol. 328.76 0.23 0.77 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 335.20 0.12 0.88 341.62 0.00 1.00 Estimated Error: a x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. b x x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Biphenyl; C H ; [92-52-4] W. E. Acree, Jr., Thermostatted liquid bath, platinum resistance thermometer, and a coiled wire 12 10 (2) 2-Methoxy-2-methylpropane; C H O; unpublished data. driven by a small electrical motor to provide stirring. 5 12 [1634-04-4] A liquid mixture of known composition was prepared by mass and placed in a glass tube. The solution was slowly cooled until a solid phase appeared. The Variables: Prepared by: temperature of the solution was recorded continuously with a platinum T/K ¼ 298.15 W. E. Acree, Jr. resistance thermometer. A break point in the temperature versus time curve indicated formation of a solid phase. The temperature at break point was taken to be the solid-liquid equilibrium temperature, and the composition of the Experimental Values solution gives the solubility of the crystalline solute in the liquid solvent.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) Chemical purity and source not given in the paper. 1.0000 0.7150 0.2850 (2) Chemical purity and source not given in the paper. a (s) x2 : initial mole fraction of component 2 in the solution. bx Estimated Error: 2: mole fraction of component 2 in the saturated solution. cx Temperature: 0.5 K. 1: mole fraction solubility of the solute. x1: 0.01 (estimated by compiler).
4.4. Biphenyl solubility data in ethers
Components: Original Measurements: 36 (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and W. (2) 1,1′-Oxybisbutane; C8H18O; E. Acree, Jr., Can. J. Chem. 77, 1589 [142-96-1] (1999). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-54 WILLIAM E. ACREE, JR.
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: 36 equilibrium from supersaturation. Aliquots of saturated solutions were (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and W. E. transferred through a coarse filter into tared volumetric flasks, weighed and (2) Ethanol; C2H6O; [64-17-5] Acree, Jr., Can. J. Chem. 77, 1589 (1999). diluted with 2-propanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 250 nm. T/K ¼ 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99.9+%, Arco Chemical Company, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9654 0.03456 Estimated Error: ax (s) Temperature: 0.1 K. 2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
4.5. Biphenyl solubility data in alcohols Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 36 (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and W. E. visible spectrophotometer. (2) Methanol; CH4O; [67-56-1] Acree, Jr., Can. J. Chem. 77, 1589 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9815 0.01851 recrystallized several times from methanol. a (s) x2 : initial mole fraction of component 2 in the solution. (2) Absolute, Aaper Alcohol and Chemical Company, USA, stored over b x2: mole fraction of component 2 in the saturated solution. molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 36 visible spectrophotometer. (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Propanol; C3H8O; [71-23-8] W. E. Acree, Jr., Can. J. Chem. 77, equilibrate for several days at constant temperature. Attainment of equilibrium 1589 (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: T ¼ transferred through a coarse filter into tared volumetric flasks, weighed and /K 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.9+%, Aldrich Chemical Company, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-55
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 x2 x1 sieves before use. 1.0000 0.9538 0.04620 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 36 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and visible spectrophotometer. (2) 1-Butanol; C4H10O; [71-36-3] W. E. Acree, Jr., Can. J. Chem. 77, Excess solute and solvent were placed in amber glass bottles and allowed to 1589 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 250 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9421 0.05788 recrystallized several times from methanol. ax (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 2 : initial mole fraction of component 2 in the solution. bx sieves before use. 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 36 visible spectrophotometer. (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Propanol; C3H8O; [67-63-0] W. E. Acree, Jr., Can. J. Chem. 77, 1589 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c 2 2 1 recrystallized several times from methanol. 1.0000 0.9647 0.03533 (2) 99.8+%, HPLC Grade, Aldrich Chemical Company, stored over molecular a (s) sieves before use. x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. 2 Estimated Error: cx : mole fraction solubility of the solute. 1 Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 36 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and visible spectrophotometer. (2) 2-Butanol; C4H10O; [78-92-2] W. E. Acree, Jr., Can. J. Chem. 77, Excess solute and solvent were placed in amber glass bottles and allowed to 1589 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-56 WILLIAM E. ACREE, JR.
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 x2 x1 sieves before use. 1.0000 0.9499 0.05005 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 36 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and visible spectrophotometer. (2) 2-Methyl-2-propanol; C4H10O; W. E. Acree, Jr., Can. J. Chem. 77, Excess solute and solvent were placed in amber glass bottles and allowed to [75-65-0] 1589 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 250 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9588 0.04118 recrystallized several times from methanol. ax (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 2 : initial mole fraction of component 2 in the solution. bx sieves before use. 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 36 visible spectrophotometer. (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Methyl-1-propanol; C4H10O; W. E. Acree, Jr., Can. J. Chem. 77, [78-83-1] 1589 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c 2 2 1 recrystallized several times from methanol. 1.0000 0.9609 0.03906 (2) 99+%, Arco Chemical Company, stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 36 Method/Apparatus/Procedure: (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Pentanol; C5H12O; [71-41-0] W. E. Acree, Jr., Can. J. Chem. 77, visible spectrophotometer. 1589 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-57
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. x2 x2 x1 1.0000 0.9243 0.07573 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 36 Method/Apparatus/Procedure: (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 3-Methyl-1-butanol; C5H12O; W. E. Acree, Jr., Can. J. Chem. 77, visible spectrophotometer. [123-51-3] 1589 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9434 0.05664 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was ax (s) recrystallized several times from methanol. 2 : initial mole fraction of component 2 in the solution. bx (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before 2: mole fraction of component 2 in the saturated solution. cx use. 1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x : 1.5% (relative error). 1 Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 36 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2-Pentanol; C5H12O; [6032-29-7] W. E. Acree, Jr., Can. J. Chem. 77, 1589 (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c 2 2 1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9347 0.06525 sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 36 Method/Apparatus/Procedure: (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-2-butanol; C5H12O; W. E. Acree, Jr., Can. J. Chem. 77, visible spectrophotometer. [75-85-4] 1589 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-58 WILLIAM E. ACREE, JR.
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2 x2 x1 1.0000 0.9288 0.07120 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: (1) Biphenyl; C H ; [92-52-4] 36K. M. De Fina, T. L. Sharp, and Method/Apparatus/Procedure: 12 10 (2) 2-Methyl-1-pentanol; C H O; W. E. Acree, Jr., Can. J. Chem. 77, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 6 14 [105-30-6] 1589 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9278 0.07216 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. (1) Biphenyl; C H ; [92-52-4] 36K. M. De Fina, T. L. Sharp, and 12 10 Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Hexanol; C H O; [111-27-3] W. E. Acree, Jr., Can. J. Chem. 77, 6 14 equilibrate for several days at constant temperature. Attainment of equilibrium 1589 (1999). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9141 0.08592 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. ax (s) 2 : initial mole fraction of component 2 in the solution. Estimated Error: bx 2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: (1) Biphenyl; C H ; [92-52-4] 36K. M. De Fina, T. L. Sharp, and Method/Apparatus/Procedure: 12 10 (2) 4-Methyl-2-pentanol; C H O; W. E. Acree, Jr., Can. J. Chem. 77, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 6 14 [108-11-2] 1589 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-59
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2 x2 x1 1.0000 0.9388 0.06115 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 36 Method/Apparatus/Procedure: (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Octanol; C8H18O; [111-87-5] W. E. Acree, Jr., Can. J. Chem. 77, visible spectrophotometer. 1589 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.8903 0.1097 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was ax (s) recrystallized several times from methanol. 2 : initial mole fraction of component 2 in the solution. bx (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 36 visible spectrophotometer. (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Heptanol; C7H16O; [111-70-6] W. E. Acree, Jr., Can. J. Chem. 77, 1589 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c 2 2 1 recrystallized several times from methanol. 1.0000 0.8999 0.1001 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular a (s) sieves before use. x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. 2 Estimated Error: cx : mole fraction solubility of the solute. 1 Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 36 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and visible spectrophotometer. (2) 2-Ethyl-1-hexanol; C8H18O; W. E. Acree, Jr., Can. J. Chem. 77, Excess solute and solvent were placed in amber glass bottles and allowed to [104-76-7] 1589 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-60 WILLIAM E. ACREE, JR.
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular x2 x2 x1 sieves before use. 1.0000 0.9052 0.09481 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: 4.6. Biphenyl solubility data in alkoxyalcohols Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium 37 (1) Biphenyl; C12H10; [92-52-4] L. M. Grubbs, M. Saifullah, N. E. De was verified by several repetitive measurements and by approaching (2) 2-Ethoxyethanol; C4H10O2; La Rosa, S. Ye, S. S. Achi, W. E. equilibrium from supersaturation. Aliquots of saturated solutions were [111-27-3] Acree, Jr., and M. H. Abraham, Fluid transferred through a coarse filter into tared volumetric flasks, weighed and Phase Equilib. 298, 48 (2010). diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before use. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.8589 0.1411 Temperature: 0.1 K. a (s) x2 : initial mole fraction of component 2 in the solution. x1: 1.5% (relative error). b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 36 Auxiliary Information (1) Biphenyl; C12H10; [92-52-4] K. M. De Fina, T. L. Sharp, and (2) 1,2-Ethanediol; C2H6O2; W. E. Acree, Jr., Can. J. Chem. 77, Method/Apparatus/Procedure: [107-21-1] 1589 (1999). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol or 2-propanol. Concentrations were determined by (s)a b c spectrophotometric measurements at 250 nm. x2 x2 x1 1.0000 0.9973 0.00269 Source and Purity of Chemicals: a (s) x2 : initial mole fraction of component 2 in the solution. (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was b x2: mole fraction of component 2 in the saturated solution. recrystallized several times from methanol. c x1: mole fraction solubility of the solute. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and distilled shortly before use.
Estimated Error: Temperature: 0.1 K.
Auxiliary Information x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-61
Auxiliary Information Components: Original Measurements: 37 (1) Biphenyl; C12H10; [92-52-4] L. M. Grubbs, M. Saifullah, N. E. De Method/Apparatus/Procedure: (2) 2-Propoxyethanol; C5H12O2; La Rosa, S. Ye, S. S. Achi, W. E. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [2807-30-9] Acree, Jr., and M. H. Abraham, Fluid visible spectrophotometer. Phase Equilib. 298, 48 (2010). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol or 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.8317 0.1683 recrystallized several times from methanol. a (s) x2 : initial mole fraction of component 2 in the solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and b x2: mole fraction of component 2 in the saturated solution. distilled shortly before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 37 visible spectrophotometer. (1) Biphenyl; C12H10; [92-52-4] L. M. Grubbs, M. Saifullah, N. E. De Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Butoxyethanol; C6H14O2; La Rosa, S. Ye, S. S. Achi, W. E. equilibrate for several days at constant temperature. Attainment of equilibrium [111-76-2] Acree, Jr., and M. H. Abraham, Fluid was verified by several repetitive measurements and by approaching Phase Equilib. 298, 48 (2010). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol or 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, Aldrich Chemical Company, stored over molecular sieves and 2 2 1 distilled shortly before use. 1.0000 0.8449 0.1551 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Biphenyl; C H ; [92-52-4] 37L. M. Grubbs, M. Saifullah, N. E. De 12 10 visible spectrophotometer. (2) 2-Isopropoxyethanol; C H O ; La Rosa, S. Ye, S. S. Achi, W. E. 5 12 2 Excess solute and solvent were placed in amber glass bottles and allowed to [109-59-1] Acree, Jr., and M. H. Abraham, Fluid equilibrate for several days at constant temperature. Attainment of equilibrium Phase Equilib. 298, 48 (2010). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol or 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c x2 x2 x1 recrystallized several times from methanol. 1.0000 0.8387 0.1613 (2) 99+%, Acros Organics, USA, stored over molecular sieves and distilled a (s) shortly before use. x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. 2 Estimated Error: cx : mole fraction solubility of the solute. 1 Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-62 WILLIAM E. ACREE, JR.
Components: Original Measurements: Experimental Values 37 (1) Biphenyl; C12H10; [92-52-4] L. M. Grubbs, M. Saifullah, N. E. De (2) 3-Methoxy-1-butanol; C H O ; La Rosa, S. Ye, S. S. Achi, W. E. 5 12 2 x (s)a x b x c [2517-43-3] Acree, Jr., and M. H. Abraham, Fluid 2 2 1 Phase Equilib. 298, 48 (2010). 1.0000 0.8700 0.1300 ax (s) Variables: Prepared by: 2 : initial mole fraction of component 2 in the solution. bx T/K ¼ 298.15 W. E. Acree, Jr. 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Experimental Values Auxiliary Information / / x (s)a x b x c Method Apparatus Procedure: 2 2 1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1.0000 0.8536 0.1464 visible spectrophotometer. a (s) x2 : initial mole fraction of component 2 in the solution. Excess solute and solvent were placed in amber glass bottles and allowed to b x2: mole fraction of component 2 in the saturated solution. equilibrate for several days at constant temperature. Attainment of equilibrium c x1: mole fraction solubility of the solute. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Auxiliary Information diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 250 nm. Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Source and Purity of Chemicals: visible spectrophotometer. (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was Excess solute and solvent were placed in amber glass bottles and allowed to recrystallized several times from methanol. equilibrate for several days at constant temperature. Attainment of equilibrium (2) 99.7%, anhydrous, Aldrich Chemical Company, stored over molecular was verified by several repetitive measurements and by approaching sieves before use. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Estimated Error: diluted with methanol or 2-propanol. Concentrations were determined by Temperature: 0.1 K. spectrophotometric measurements at 250 nm. x1: 1.5% (relative error).
Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and 5. Solubility of Carbazole in Organic distilled shortly before use. Solvents
Estimated Error: 5.1. Critical evaluation of experimental Temperature: 0.1 K. solubility data x1: 1.5% (relative error). Volume 58 in the IUPAC Solubility Data Series2 contained experimental solubility data for carbazole dissolved in 13 saturated hydrocarbons (hexane, heptane, octane, decane, 4.7. Biphenyl solubility data in miscellaneous dodecane, hexadecane, cyclohexane, methylcyclohexane, organic solvents cyclooctane, 2,2,4-trimethylpentane, tert-butylcyclohexane, squalane, and decahydronapthalene), in three aromatic hydro- carbons (benzene, methylcyclohexane, and 1,4-dimethylben- Components: Original Measurements: zene), in two alkyl alkanoates (ethyl ethanoate and butyl (1) Biphenyl; C12H10; [92-52-4] W. E. Acree, Jr., butanoate), in seven ethers (1,1′-oxybisethane, 1,1′-oxybisbu- (2) Propylene carbonate; C4H6O3; [108-32-7] unpublished data. tane, 1,1′-oxybispentane, tetrahydropyran, tetrahydrofuran, Variables: Prepared by: 1,4-dioxane, and methoxybenzene), in six chloroalkanes (tri- T ¼ /K 298.15 W. E. Acree, Jr. chloromethane, tetrachloromethane, 1-chlorohexane, 1-chlor- ooctane, 1-chlorotetradecane, and chlorocyclohexane), in seven alkanols (methanol, ethanol, 1-propanol, 2-propnaol,
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-63
1-butanol, 1-octanol, and 1,2-ethanediol), in three alkanones a b T/K x2 x1 (propanone, butanone, and cyclohexanone) and in acetophe- 311.4 0.7786 0.2214 none, and in 11 miscellaneous organic solvents (carbon dis- 317.5 0.7491 0.2509 ulfide, pyridine, quinoline, thiophene, dimethyl sulfoxide, 318.7 0.7416 0.2584 nitromethane, acetic anhydride, 1-methyl-2-pyrrolidinone, 321.2 0.7284 0.2716 N,N-dimethylacetamide, N,N-dimethylformamide, tetra- 331.5 0.7185 0.2815 343.8 0.7033 0.2967 methylene sulfone, and tributyl phosphate). Except for cyclo- 359.3 0.6790 0.3210 hexane, decahydronaphthalene, benzene, methylbenzene 363.3 0.6737 0.3263 1,2,3,4-tetrahydronaphthalene, tetrachloromethane, 2-propa- 377.4 0.6490 0.3510 nol, pyridine, and thiophene, solubility measurements were 398.1 0.6101 0.3899 made at only a single temperature of 298 K, or at a single 411.9 0.5773 0.4227 420.9 0.5567 0.4433 ambient temperature estimated at between 298 and 303 K. 444.3 0.4842 0.5158 Solubility measurements in methylbenzene, tetrachloro- 518.7 0.0000 1.0000 methane, and 2-propanol covered 40 K in temperature from a x2: mole fraction of component 2 in the saturated solution. b 293 to 333 K. Solubility data for carbazole in cyclohexane x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (from 293 to 357 K), decahydronaphthalene (from 333 to 502 K), 1,2,3,4-tetrahydronaphthalene (from 345 to 495 K), and pyridine (from 302 to 439 K) covered a much larger The authors report that the data reveal the presence of a temperature interval, albeit measurements were made at only a eutectic point at a carbazole mole fraction of x1 ¼ 0.0475 and few temperatures within the given interval. Solubility data eutectic temperature of T/K ¼ 250.8. An incongruent melting contained in Vol. 58 will not be republished here. The listing temperature of T/K ¼ 322.8 and x1 ¼ 0.27 suggested formation above is provided so that readers will know what solubility of a 1:1 carbazole–N,N-dimethylacetamide molecular data are available in the earlier volume for carbazole. complex. There has been very little carbazole solubility data pub- lished during the last 17 years. The only data that could be Auxiliary Information found pertained to phase diagrams determined by Lisicki and Method/Apparatus/Procedure: 35 N N Jamro´z for carbazole + , -dimethylacetamide, carbazole + Temperature-controlled heating/cooling system and a shaking-mixing system. 1-methyl-2-pyrrolidone, and carbazole + hexahydro-1- Synthetic mixtures of known compositions were weighed in small glass methyl-2H-azepin-2-one (also called N-methyl-ε-caprolac- ampoules. The mixture composition was known to within 0.0002 mole tam). The published experimental liquidus curves for the latter fraction. Ampoules were cooled to very low temperatures of about 220 K, three carbazole systems did not indicate any outlier data pumped down and sealed. The sealed mixtures were then melted, cooled rapidly, and reheated. The rate of reheating was at an approximate rate of points. The experimental data are listed in Sec. 5.2. 8 10 5 K/s just before complete dissolution. The temperatures at which the solid completely dissolved were recorded. The average of two or three independent measurements was taken as the solid-liquid equilibrium. 5.2. Carbazole solubility data in miscellaneous organic solvents Source and Purity of Chemicals: (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was purified by melting with potassium hydroxide, followed by repeated recrystallization from dimethylbenzene to yield a sample having a purity of 99.9% (by mass). Components: Original Measurements: (2) Purest grade, Merck-Schuchardt, was distilled under reduced pressure and (1) Carbazole; C H N; [86-74-8] 35Z. Lisicki and M. E. Jamro´z, 12 9 dried over molecular sieves to produce a sample of 99.9% purity (mass (2) N,N-Dimethylacetamide; C H NO; J. Chem. Thermodyn. 32, 4 9 percent). [127-19-5] 1335 (2000). Variables: Prepared by: Estimated Error: Temperature W. E. Acree, Jr. Temperature: 0.2 K (estimated by compiler).
x1: 0.0002.
Experimental Values
a b Components: Original Measurements: T/K x2 x1 35 (1) Carbazole; C12H9N; [86-74-8] Z. Lisicki and M. E. Jamro´z, 253.2 1.0000 0.0000 (2) 1-Methyl-2-pyrrolidone; C5H9NO; J. Chem. Thermodyn. 32, 253.0 0.9898 0.0102 [872-50-4] 1335 (2000). 252.1 0.9779 0.0221 251.6 0.9690 0.0310 Variables: Prepared by: 251.3 0.9597 0.0403 Temperature W. E. Acree, Jr. 256.2 0.9472 0.0528 269.1 0.9252 0.0748 285.3 0.8825 0.1175 291.7 0.8584 0.1416 302.8 0.8217 0.1783 311.3 0.7801 0.2199
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-64 WILLIAM E. ACREE, JR.
Experimental Values Components: Original Measurements: 35 (1) Carbazole; C12H9N; [86-74-8] Z. Lisicki and M. E. H N ´ a b (2) Hexahydro-1-methyl-2 -azepin-2-one ( - Jamroz, J. Chem. T/K x2 x1 Methyl-ε-caprolactam); C7H13NO; [2556-73-2] Thermodyn. 32, 1335 248.5 1.0000 0.0000 (2000). 252.7 0.9941 0.0059 Variables: Prepared by: 260.2 0.9902 0.0098 Temperature W. E. Acree, Jr. 268.7 0.9804 0.0196 284.1 0.9520 0.0480 296.4 0.9090 0.0910 Experimental Values 299.6 0.8935 0.1065 302.2 0.8750 0.1250 306.9 0.8371 0.1629 T/K x a x b 309.8 0.8097 0.1903 2 1 312.7 0.8000 0.2000 279.6 1.0000 0.0000 319.2 0.7778 0.2222 282.7 0.7489 0.2511 324.5 0.7499 0.2501 306.4 0.7284 0.2716 330.5 0.7140 0.2860 322.1 0.7111 0.2889 334.2 0.6875 0.3125 332.0 0.6930 0.3070 353.7 0.6667 0.3333 341.9 0.6793 0.3207 373.4 0.6360 0.3640 363.0 0.6459 0.3541 393.3 0.6002 0.3998 394.3 0.5998 0.4002 418.1 0.5499 0.4501 398.4 0.5910 0.4090 437.2 0.5003 0.4997 422.1 0.5417 0.4583 456.3 0.4398 0.5602 439.3 0.4909 0.5091 518.7 0.0000 1.0000 462.4 0.4012 0.5988 463.2 0.3975 0.6025 ax : mole fraction of component 2 in the saturated solution. 2 481.7 0.3009 0.6991 bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 496.8 0.1996 0.8004 508.8 0.0988 0.9012 518.7 0.0000 1.0000 The authors report that the binary system has two incon- a x2: mole fraction of component 2 in the saturated solution. T ¼ b gruent melting temperatures: the first at /K 309.2 and a x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). carbazole mole fraction of x1 ¼ 0.189, and the second at T/K ¼ 334.5 and x1 ¼ 0.313. The composition of the complexes could not be established explicitly. An eutectic temperature of T/K ¼ 241.3 was determined based on calorimetric Auxiliary Information measurements. Method/Apparatus/Procedure: Temperature-controlled heating/cooling system and a shaking-mixing system. Auxiliary Information Synthetic mixtures of known compositions were weighed in small glass ampoules. The mixture composition was known to within 0.0002 mole Method/Apparatus/Procedure: fraction. Ampoules were cooled to very low temperatures of about 220 K, Temperature-controlled heating/cooling system and a shaking-mixing system. pumped down, and sealed. The sealed mixtures were then melted, cooled Synthetic mixtures of known compositions were weighed in small glass rapidly, and reheated. The rate of reheating was at an approximate rate of ampoules. The mixture composition was known to within 0.0002 mole 8 10 5 K/s just before complete dissolution. The temperature at which the fraction. Ampoules were cooled to very low temperatures of about 220 K, solid completely dissolved was recorded. The average of two or three pumped down and sealed. The sealed mixtures were then melted, cooled independent measurements was taken as the solid-liquid equilibrium. rapidly, and reheated. The rate of reheating was at an approximate rate of 8 10 5 K/s just before complete dissolution. The temperatures at which the Source and Purity of Chemicals: solid completely dissolved were recorded. The average of two or three (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was purified by independent measurements was taken as the solid-liquid equilibrium. melting with potassium hydroxide, followed by repeated recrystallization from dimethylbenzene to yield a sample having a purity of 99.9% (by mass). Source and Purity of Chemicals: (2) Technical Grade, Leuna Werke, Federal Republic of Germany, was (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was purified by purified by super-rectification and then dried over molecular sieves to give a melting with potassium hydroxide, followed by repeated recrystallization from sample having a purity of 99.9% by mass. dimethylbenzene to yield a sample having a purity of 99.9% (by mass). (2) Technical Grade, BASF, Federal Republic of Germany, was purified by Estimated Error: treatment with a 2% solution of potassium permanganate, and then distilled Temperature: 0.2 K (estimated by compiler). under reduced pressure to collect the distillate having 99.8% purity (mass x : 0.0002. percent). The purified sample was dried over molecular sieves. 1
Estimated Error: Temperature: 0.2 K (estimated by compiler). x1: 0.0002.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-65
TABLE 2. Parameters of the Apelblat equation for describing the solubility of dibenzofuran in various organic solvents Solvent ABCMRD (%) Methylbenzene 40.193 4126.3 4.863 1.3 Ethyl ethanoate 36.051 4126.4 4.151 1.9 2,2′-Oxybispropane 20.096 4126.8 1.421 1.8 Tetrachloromethane 33.557 4126.5 3.725 1.7 Ethanol 13.514 4127.5 4.258 10.9 1-Butanol 14.149 4127.5 4.410 10.1
6. Solubility of Dibenzofuran in Organic The final two studies involved determination of phase 42 Solvents diagrams. Hafsaoui and Mahmound used a differential scan- ning calorimetric method in determining solid-liquid equili- 6.1. Critical evaluation of experimental brium data for the dibenzofuran + pentacosane system. Lisicki solubility data and Jamro´z35 reported solid-liquid equilibria data for binary mixtures containing dibenzofuran with N,N-dimethylaceta- The dibenzofuran solubility data that was contained in Vol. mide, 1-methyl-2-pyrrolidone, and hexahydro-1-methyl-2H- 58 of the IUPAC Solubility Data Series2 was very limited. The azepin-2-one (also called N-methyl-ε-caprolactam). The solubility data included mole fraction solubilities of dibenzo- dibenzofuran + N,N-dimethylformamide and dibenzofuran + furan in cyclohexane (from 328 to 345 K), decahydronaphtha- 1-methyl-2-pyrrolidone systems both exhibited simple eutec- lene (from 326 to 337 K), benzene (from 322 to 339 K), tic behavior. The published experimental liquidus curves for 1,2,3,4-tetrahydronaphthalene (from 319 to 340 K), pyridine the latter three dibenzofuran systems did not indicate any (from 324 to 341 K), and thiophene (from 314 to 341 K) outlier data points. measured by Coon et al.,39 along with the published solid- The experimental solubility data for dibenzofuran dissolved liquid equilibrium data for the binary dibenzofuran + benzene in the different organic solvents are given in Secs. 6.2–6.8. phase diagram from a paper by Domanska et al.40 Solubility data contained in Vol. 58 will not be republished here. The listing above is provided so that readers will know what 6.2. Dibenzofuran solubility data in saturated solubility data are available in the earlier volume for hydrocarbons (including cycloalkanes) dibenzofuran. There have been three studies that have reported solubility data for dibenzofuran in organic solvents after Vol. 58 was Components: Original Measurements: 41 42 published in 1995. First, Wei et al. determined the solubility (1) Dibenzofuran; C12H8O; [132-64-9] S. L. Hafsaoui and R. of dibenzofuran in methylbenzene, ethyl ethanoate, tetrachlor- (2) Pentacosane; C25H52; [629-99-2] Mahmoud, J. Therm. Anal. Calorim. 88, 565 (2007). omethane, 2,2′-oxybispropane, ethanol, and 1-butanol from 283.15 to 333.15 K. The internal consistency of the six datasets Variables: Prepared by: of measured dibenzofuran solubilities were assessed by curve- Temperature W. E. Acree, Jr. fitting the measured the mole fraction solubility to Eq. (3). The numerical values of the equation coefficients (A, B, and C) are Experimental Values given in Table 2, along with the respective MRDs. Examina- tion of the numerical entries in the last column of Table 2 T x a x b reveals that the largest mean relative percent deviation /K 2 1 between the back-calculated values based on Eq. (3) and 324.10 1.000 0.000 323.65 0.901 0.099 experimental data is less than 2% for the four nonalkanol 322.35 0.798 0.202 solvents, which is less than the experimental uncertainties in 319.34 0.702 0.298 the measured values. Much larger mean relative percent 326.43 0.601 0.399 deviations of 10.9% and 10.1% were noted for ethanol and 332.21 0.501 0.499 1-butanol, respectively. The experimental uncertainties asso- 337.75 0.399 0.601 344.04 0.299 0.701 ciated with solubility data for the two alcohol solvents were on 348.94 0.199 0.801 the order of 6%. Results of the mathematical representation 352.84 0.101 0.899 analyses indicate that the experimental data for the first four 355.10 0.000 1.000 a dibenzofuran-organic solvent systems are internally consis- x2: mole fraction of component 2 in the saturated solution. bx tent. Deviations for ethanol and 1-butanol are larger than 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). desired; however, given the experimental uncertainty in the measured values they are still considered to fall within an “acceptable” level.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Auxiliary Information Source and Purity of Chemicals: (1) 99.5% (by gas chromatography), Tianjin Kewei Chemical Reagents, / / Method Apparatus Procedure: Company, Ltd., China, recrystallized twice. Recrystallization solvent was not Differential scanning calorimeter. specified. Mixtures of dibenzofuran and pentacosane were prepared by mass. The (2) 99.5%, Analytical Reagent Grade, Tianjin Damao Chemical Reagent resulting mixtures were heated slowly with agitation until the entire sample Company, China, was used without further purification. melted. After melting the sample was immersed in liquid nitrogen to solidify the mixture completely. A small amount of solid was removed and sealed in a Estimated Error: pan, the capsule was crimped, and placed in the calorimetric block of the Temperature: 0.1 K. differential scanning calorimeter for analysis. x1: 3% (relative error).
Source and Purity of Chemicals: (1) 98%, Fluka Chemical Company, was used as received. (2) 99%, Fluka Chemical Company, was used as received. 6.4. Dibenzofuran solubility data in esters Estimated Error: Temperature: 0.7 K. x 1: 0.002 (estimated by compiler). Components: Original Measurements: 41 (1) Dibenzofuran; C12H8O; [132-64-9] Y. Wei, L. Dang, Z. Zhang, (2) Ethyl ethanoate; C4H8O2; [141-78-6] W. Cui, and H. Wei, J. Chem. Eng. Data 57, 1279 (2012). 6.3. Dibenzofuran solubility data in aromatic Variables: Prepared by: hydrocarbons Temperature W. E. Acree, Jr.
Experimental Values Components: Original Measurements: 41 (1) Dibenzofuran; C12H8O; [132-64-9] Y. Wei, L. Dang, Z. Zhang, (2) Methylbenzene; C H ; [108-88-3] W. Cui, and H. Wei, J. Chem. 7 8 T x a x b Eng. Data 57, 1279 (2012). /K 2 1 283.15 0.8545 0.1455 Variables: Prepared by: 288.15 0.8321 0.1679 Temperature W. E. Acree, Jr. 293.15 0.8011 0.1989 298.15 0.7685 0.2315 303.15 0.7315 0.2685 Experimental Values 308.15 0.6723 0.3277 313.15 0.6128 0.3872 318.15 0.5589 0.4411 T x a x b /K 2 1 323.15 0.4983 0.5017 283.15 0.8423 0.1577 328.15 0.4349 0.5651 288.15 0.8145 0.1855 333.15 0.3751 0.6249 293.15 0.7769 0.2231 ax : mole fraction of component 2 in the saturated solution. 298.15 0.7344 0.2656 2 bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 303.15 0.6987 0.3013 1 308.15 0.6563 0.3437 313.15 0.6009 0.3991 318.15 0.5453 0.4547 Auxiliary Information 323.15 0.4855 0.5145 Method/Apparatus/Procedure: 328.15 0.4183 0.5817 Jacketed vessel, thermostatted bath and gas chromatograph equipped with a 333.15 0.3762 0.6238 flame ionization detector. a ’ x2: mole fraction of component 2 in the saturated solution. The authors description states that the method is based on adding excess solute b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). to a stirred solution kept at fixed temperature for at least 24 h. After stirring was stopped, the solid was allowed to settle to the bottom of the container. Three samples of about 10 mL each were carefully withdrawn and filtered through a 0.045 μm PTFE filter. The filtered samples were then analyzed using a gas chromatograph equipped with a flame ionization detector. Auxiliary Information Source and Purity of Chemicals: Method/Apparatus/Procedure: (1) 99.5% (by gas chromatography), Tianjin Kewei Chemical Reagents, Jacketed vessel, thermostatted bath and gas chromatograph equipped with a Company, Ltd., China, recrystallized twice. Recrystallization solvent was not flame ionization detector. specified. The authors’ description states that the method is based on adding excess solute (2) 99.5%, Analytical Reagent Grade, Tianjin Damao Chemical Reagent to a stirred solution kept at fixed temperature for at least 24 h. After stirring was Company, China, was used without further purification. stopped, the solid was allowed to settle to the bottom of the container. Three samples of about 10 mL each were carefully withdrawn and filtered through a Estimated Error: 0.045 μm PTFE filter. The filtered samples were then analyzed using a gas Temperature: 0.1 K. chromatograph equipped with a flame ionization detector. x1: 3% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-67
6.5. Dibenzofuran solubility data in ethers Experimental Values
a b T/K x2 x1 Components: Original Measurements: 41 283.15 0.8661 0.1339 (1) Dibenzofuran; C12H8O; [132-64-9] Y. Wei, L. Dang, Z. Zhang, 288.15 0.8386 0.1614 (2) 2,2′-Oxybispropane; C6H14O; W. Cui, and H. Wei, J. Chem. [108-20-3] Eng. Data 57, 1279 (2012). 293.15 0.8087 0.1913 298.15 0.7842 0.2158 Variables: Prepared by: 303.15 0.7361 0.2639 Temperature W. E. Acree, Jr. 308.15 0.6934 0.3066 313.15 0.6458 0.3542 318.15 0.5881 0.4119 Experimental Values 323.15 0.5086 0.4914 328.15 0.4521 0.5479 333.15 0.3652 0.6348 a b T/K x2 x1 a x2: mole fraction of component 2 in the saturated solution. b 283.15 0.9162 0.0838 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 288.15 0.8958 0.1042 293.15 0.8698 0.1302 298.15 0.8452 0.1548 303.15 0.8168 0.1832 308.15 0.7634 0.2366 Auxiliary Information 313.15 0.7155 0.2845 Method/Apparatus/Procedure: 318.15 0.6589 0.3411 Jacketed vessel, thermostatted bath and gas chromatograph equipped with a 323.15 0.5881 0.4119 flame ionization detector. 328.15 0.4919 0.5081 The authors’ description states that the method is based on adding excess solute 333.15 0.4202 0.5798 to a stirred solution kept at fixed temperature for at least 24 h. After stirring was ax 2: mole fraction of component 2 in the saturated solution. stopped, the solid was allowed to settle to the bottom of the container. Three bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). samples of about 10 mL each were carefully withdrawn and filtered through a 0.045 μm PTFE filter. The filtered samples were then analyzed using a gas chromatograph equipped with a flame ionization detector. Auxiliary Information Source and Purity of Chemicals: / / Method Apparatus Procedure: (1) 99.5% (by gas chromatography), Tianjin Kewei Chemical Reagents, Jacketed vessel, thermostatted bath and gas chromatograph equipped with a Company, Ltd., China, recrystallized twice. Recrystallization solvent was not flame ionization detector. specified. ’ The authors description states that the method is based on adding excess solute (2) 99.5%, Analytical Reagent Grade, Tianjin Damao Chemical Reagent to a stirred solution kept at fixed temperature for at least 24 h. After stirring was Company, China, was used without further purification. stopped, the solid was allowed to settle to the bottom of the container. Three samples of about 10 mL each were carefully withdrawn and filtered through a Estimated Error: μ 0.045 m PTFE filter. The filtered samples were then analyzed using a gas Temperature: 0.1 K. chromatograph equipped with a flame ionization detector. x1: 3% (relative error). Source and Purity of Chemicals: (1) 99.5% (by gas chromatography), Tianjin Kewei Chemical Reagents, Company, Ltd., China, recrystallized twice. Recrystallization solvent was not specified. 6.7. Dibenzofuran solubility data in alcohols (2) 99.5%, Analytical Reagent Grade, Tianjin Damao Chemical Reagent Company, China, was used without further purification. Components: Original Measurements: Estimated Error: (1) Dibenzofuran; C H O; [132-64-9] 41Y. Wei, L. Dang, Z. Zhang, 12 8 Temperature: 0.1 K. (2) Ethanol; C H O; [64-17-5] W. Cui, and H. Wei, J. Chem. x 2 6 1: 3% (relative error). Eng. Data 57, 1279 (2012). Variables: Prepared by: Temperature W. E. Acree, Jr. 6.6. Dibenzofuran solubility data in haloalkanes, haloalkenes, and haloaromatic hydrocarbons
Components: Original Measurements: 41 (1) Dibenzofuran; C12H8O; [132-64-9] Y. Wei, L. Dang, Z. Zhang, (2) Tetrachloromethane; CCl4; [56-23-5] W. Cui, and H. Wei, J. Chem. Eng. Data 57, 1279 (2012). Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Experimental Values a b T/K x2 x1 313.15 0.8932 0.1068 a b 318.15 0.8336 0.1664 T/K x2 x1 323.15 0.7699 0.2301 283.15 0.9789 0.0211 328.15 0.6362 0.3638 288.15 0.9729 0.0271 333.15 0.4859 0.5141 293.15 0.9678 0.0322 ax 298.15 0.9586 0.0414 2: mole fraction of component 2 in the saturated solution. bx 303.15 0.9511 0.0489 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 308.15 0.9293 0.0707 313.15 0.8977 0.1023 318.15 0.8659 0.1341 323.15 0.8029 0.1971 Auxiliary Information 328.15 0.7169 0.2831 333.15 0.6659 0.3341 Method/Apparatus/Procedure: a Jacketed vessel, thermostatted bath and gas chromatograph equipped with a x2: mole fraction of component 2 in the saturated solution. b flame ionization detector x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). The authors’ description states that the method is based on adding excess solute to a stirred solution kept at fixed temperature for at least 24 h. After stirring was stopped, the solid was allowed to settle to the bottom of the container. Three samples of about 10 mL each were carefully withdrawn and filtered through a Auxiliary Information 0.045 μm PTFE filter. The filtered samples were then analyzed using a gas chromatograph equipped with a flame ionization detector. Method/Apparatus/Procedure: Jacketed vessel, thermostatted bath and gas chromatograph equipped with a Source and Purity of Chemicals: flame ionization detector. (1) 99.5% (by gas chromatography), Tianjin Kewei Chemical Reagents, The authors’ description states that the method is based on adding excess solute Company, Ltd., China, recrystallized twice. Recrystallization solvent was not to a stirred solution kept at fixed temperature for at least 24 h. After stirring was specified. stopped, the solid was allowed to settle to the bottom of the container. Three (2) 99.5%, Analytical Reagent Grade, Tianjin Damao Chemical Reagent samples of about 10 mL each were carefully withdrawn and filtered through a Company, China, was used without further purification. 0.045 μm PTFE filter. The filtered samples were then analyzed using a gas chromatograph equipped with a flame ionization detector. Estimated Error: Temperature: 0.1 K. Source and Purity of Chemicals: x : 6% (relative error). (1) 99.5% (by gas chromatography), Tianjin Kewei Chemical Reagents, 1 Company, Ltd., China, recrystallized twice. Recrystallization solvent was not specified. (2) 99.5%, Analytical Reagent Grade, Tianjin Damao Chemical Reagent Company, China, was used without further purification. 6.8. Dibenzofuran solubility data in miscellaneous organic solvents Estimated Error: Temperature: 0.1 K. x1: 6% (relative error). Components: Original Measurements: 35 (1) Dibenzofuran; C12H8O; [132-64-9] Z. Lisicki and M. E. Jamro´z, (2) N,N-Dimethylacetamide; C4H9NO; J. Chem. Thermodyn. 32, [127-19-5] 1335 (2000). Components: Original Measurements: 41 Variables: Prepared by: (1) Dibenzofuran; C12H8O; [132-64-9] Y. Wei, L. Dang, Z. Zhang, Temperature W. E. Acree, Jr. (2) 1-Butanol; C4H10O; [71-36-3] W. Cui, and H. Wei, J. Chem. Eng. Data 57, 1279 (2012). Variables: Prepared by: Temperature W. E. Acree, Jr.
Experimental Values
a b T/K x2 x1 283.15 0.9719 0.0281 288.15 0.9674 0.0326 293.15 0.9579 0.0421 298.15 0.9469 0.0531 303.15 0.9329 0.0671 308.15 0.9123 0.0877
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-69
Experimental Values Experimental Values
a b a b T/K x2 x1 T/K x2 x1 253.2 1.0000 0.0000 248.5 1.0000 0.0000 252.8 0.9894 0.0106 247.9 0.9709 0.0291 252.4 0.9779 0.0221 247.6 0.9648 0.0352 251.7 0.9654 0.0346 244.8 0.9047 0.0953 249.5 0.9462 0.0538 244.3 0.8791 0.1209 247.9 0.9305 0.0695 243.0 0.8580 0.1420 249.6 0.9137 0.0863 247.3 0.8434 0.1566 256.7 0.8915 0.1085 249.0 0.8399 0.1601 272.7 0.8227 0.1773 252.7 0.8275 0.1725 283.4 0.7723 0.2277 258.3 0.8115 0.1885 298.9 0.6764 0.3236 270.1 0.7716 0.2284 313.4 0.5765 0.4235 286.3 0.7009 0.2991 323.2 0.4745 0.5255 301.4 0.6200 0.3800 332.7 0.3584 0.6416 317.1 0.5125 0.4875 337.7 0.3003 0.6997 327.3 0.4094 0.5906 344.3 0.2084 0.7916 335.8 0.3210 0.6790 351.0 0.1021 0.8979 342.9 0.2336 0.7664 354.1 0.0546 0.9454 352.1 0.1074 0.8926 355.8 0.0000 1.0000 353.4 0.0675 0.9325 a 355.8 0.0000 1.0000 x2: mole fraction of component 2 in the saturated solution. b a x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
The authors reported that the binary system exhibits simple eutectic behavior, with a eutectic temperature of T/K ¼ 247.3 The authors reported that the binary system exhibits simple T ¼ and eutectic composition of x1 ¼ 0.079. eutectic behavior, with a eutectic temperature of /K 242.1 and eutectic composition of x1 ¼ 0.141. Auxiliary Information Auxiliary Information Method/Apparatus/Procedure: Temperature-controlled heating/cooling system and a shaking-mixing system. Method/Apparatus/Procedure: Synthetic mixtures of known compositions were weighed in small glass Temperature-controlled heating/cooling system and a shaking-mixing system. ampoules. The mixture composition was known to within 0.0002 mole Synthetic mixtures of known compositions were weighed in small glass fraction. Ampoules were cooled to very low temperatures of about 220 K, ampoules. The mixture composition was known to within 0.0002 mole pumped down and sealed. The sealed mixtures were then melted, cooled fraction. Ampoules were cooled to very low temperatures of about 220 K, rapidly, and reheated. The rate of reheating was at an approximate rate of pumped down, and sealed. The sealed mixtures were then melted, cooled 8 10 5 K/s just before complete dissolution. The temperatures at which the rapidly, and reheated. The rate of reheating was at an approximate rate of solid completely dissolved were recorded. The average of two or three 8 10 5 K/s just before complete dissolution. The temperature at which the independent measurements was taken as the solid-liquid equilibrium. solid completely dissolved was recorded. The average of two or three independent measurements was taken as the solid-liquid equilibrium. Source and Purity of Chemicals: (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized Source and Purity of Chemicals: twice from ethanol in the presence of activated carbon, and then recrystallized (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized from methylbenzene. twice from ethanol in the presence of activated carbon, and then recrystallized (2) Purest grade, Merck-Schuchardt, was distilled under reduced pressure and from methylbenzene. dried over molecular sieves to produce a sample of 99.9% purity (mass (2) Technical Grade, BASF, Federal Republic of Germany, was purified by percent). treatment with a 2% solution of potassium permanganate, and then distilled under reduced pressure to collect the distillate having 99.8% purity (mass Estimated Error: percent). The purified sample was dried over molecular sieves. Temperature: 0.2 K (estimated by compiler). x1: 0.0002. Estimated Error: Temperature: 0.2 K (estimated by compiler).
x1: 0.0002.
Components: Original Measurements: 35 (1) Dibenzofuran; C12H8O; [132-64-9] Z. Lisicki and M. E. Jamro´z, (2) 1-Methyl-2-pyrrolidone; C5H9NO; J. Chem. Thermodyn. 32, Components: Original Measurements: 35 [872-50-4] 1335 (2000). (1) Dibenzofuran; C12H8O; [132-64-9] Z. Lisicki and M. E. (2) Hexahydro-1-methyl-2H-azepin-2-one (N- Jamro´z, J. Chem. Variables: Prepared by: Methyl-ε-caprolactam); C H NO; [2556-73-2] Thermodyn. 32, 1335 Temperature W. E. Acree, Jr. 7 13 (2000). Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Experimental Values to 337 K) measured by Coon et al.,39 along with the published solid-liquid equilibrium data for the binary dibenzothiophene 40 a b + benzene phase diagram from a paper by Domanska et al. T/K x2 x1 279.6 1.0000 0.0000 Solubility data contained in Vol. 58 will not be republished 286.3 0.7030 0.2970 here. The listing above is provided so that readers will know 296.6 0.6479 0.3521 what solubility data are available in the earlier volume for 305.7 0.6049 0.3951 dibenzothiophene. 306.3 0.5977 0.4023 A search of the published chemical and engineering litera- 314.1 0.5495 0.4505 320.2 0.5056 0.4944 ture from 1995 to 2011 found two papers reporting experi- 329.9 0.4110 0.5890 mental dibenzothiophene solubility data. Ramirez-Verduzco 330.9 0.3998 0.6002 et al.43 determined the solubility of dibenzothiophene in 337.9 0.3141 0.6859 cyclohexane, tetradecane, hexadecane, dihydro-2(3H)-fura- 345.5 0.2093 0.7907 none (commonly referred to as γ-butyrolactone), and acetoni- 351.8 0.0888 0.9112 355.8 0.0000 1.0000 trile as a function of temperature. Each of the five systems a covered a temperature range of more than 40 K. The authors x2: mole fraction of component 2 in the saturated solution. b noted that their experimental results for the dibenzothiophene x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). + cyclohexane system were in good agreement with corre- sponding values previously reported by Coon et al.39 The highest deviation noted in the solid-liquidus temperature was Auxiliary Information 1.2 K. The experimental data were correlated with both the two-parameter Wilson and UNIQUAC models. Interaction Method/Apparatus/Procedure: Temperature controlled heating/cooling system and a shaking-mixing system. coefficients calculated from the experimental solid-liquid Synthetic mixtures of known compositions were weighed in small glass equilibrium data provided a reasonably accurate mathematical ampoules. The mixture composition was known to within 0.0002 mole description of the measured values. Absolute average relative fraction. Ampoules were cooled to very low temperatures of about 220 K, deviations between calculated and observed values were less pumped down and sealed. The sealed mixtures were then melted, cooled than 3%. rapidly, and reheated. The rate of reheating was at an approximate rate of 35 ´ 8 10 5 K/s just before complete dissolution. The temperatures at which the Lisicki and Jamroz reported solid-liquid equilibria data N N solid completely dissolved were recorded. The average of two or three for binary mixtures containing dibenzothiophene with , - independent measurements was taken as the solid-liquid equilibrium. dimethylacetamide, 1-methyl-2-pyrrolidone and hexahydro- 1-methyl-2H-azepin-2-one (also called N-methyl-ε-caprolac- Source and Purity of Chemicals: tam). The dibenzothiophene + N,N-dimethylformamide and (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized twice from ethanol in the presence of activated carbon, and then recrystallized dibenzothiophene + 1-methyl-2-pyrrolidone systems both from methylbenzene. exhibited simple eutectic behavior. The published experimen- (2) Technical Grade, Leuna Werke, Federal Republic of Germany, was tal liquidus curves for the latter three dibenzothiophene sys- purified by super-rectification and then dried over molecular sieves to give a tems did not indicate any outlier data points. sample having a purity of 99.9% by mass. The experimental solubility data for dibenzothiophene Estimated Error: dissolved in the different organic solvents are given in Temperature: 0.2 K (estimated by compiler). Secs. 7.2–7.4. x1: 0.0002. 7.2. Dibenzothiophene solubility data in saturated hydrocarbons (including cycloalkanes) 7. Solubility of Dibenzothiophene in Organic Solvents Components: Original Measurements: 43 7.1. Critical evaluation of experimental (1) Dibenzothiophene; C12H8S; L. F. Ramirez-Verduzco, A. Rojas- solubility data [132-65-0] Aguilar, J. A. De los Reyes, J. A. Munoz- (2) Tetradecane; C14H30; Arroyo, and F. Murrieta-Guevara, J. The dibenzothiophene solubility data that was contained in [629-59-4] Chem. Eng. Data 52, 2212 (2007). Vol. 58 of the IUPAC Solubility Data Series2 was very limited. Variables: Prepared by: The solubility data included mole fraction solubilities Temperature W. E. Acree, Jr. of dibenzothiophene in cyclohexane (from 321 to 343 K), decahydronaphthalene (from 311 to 334 K), benzene (from 310 to 342 K), 1,2,3,4-tetrahydronaphthalene (from 309 to 338 K), pyridine (from 307 to 335 K), and thiophene (from 309
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-71
Experimental Values a b T/K x2 x1 334.7 0.8000 0.2000 a b 341.5 0.7435 0.2565 T/K x2 x1 350.9 0.6263 0.3737 278.2 0.9770 0.0230 356.9 0.4979 0.5021 283.9 0.9700 0.0300 357.0 0.4906 0.5094 291.0 0.9600 0.0400 360.1 0.3953 0.6047 298.3 0.9475 0.0525 362.7 0.3046 0.6954 316.1 0.9041 0.0959 ax 337.2 0.7965 0.2035 2: mole fraction of component 2 in the saturated solution. bx 346.7 0.7018 0.2982 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 352.6 0.5993 0.4007 356.2 0.5035 0.4965 a x2: mole fraction of component 2 in the saturated solution. The authors report that the eutectic point occurred at bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 x1 ¼ 0.0439 and T/K ¼ 290.6.
Auxiliary Information The authors report that the eutectic point occurred at x ¼ T ¼ Method/Apparatus/Procedure: 1 0.0230 and /K 278.2. Heating circulating bath and platinum resistance temperature probe. Synthetic mixtures of known compositions were prepared by mass. Samples Auxiliary Information were slowly heated in a temperature bath, and the temperature at which the last amount of solid solute dissolved was measured. The temperature obtained was Method/Apparatus/Procedure: taken to represent the saturation point for the mixture being studied. Heating circulating bath and platinum resistance temperature probe. Synthetic mixtures of known compositions were prepared by mass. Samples Source and Purity of Chemicals: were slowly heated in a temperature bath, and the temperature at which the last (1) 98.0%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as amount of solid solute dissolved was measured. The temperature obtained was received. taken to represent the saturation point for the mixture being studied. (2) 99.0%, Aldrich Chemical Company, was used as received. Source and Purity of Chemicals: Estimated Error: (1) 98.0%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as Temperature: 0.5 K. received. x : 0.0005. (2) 99.0%, Aldrich Chemical Company, was used as received. 1
Estimated Error: Temperature: 0.5 K. x1: 0.0005. Components: Original Measurements: 43 (1) Dibenzothiophene; C12H8S; L. F. Ramirez-Verduzco, A. Rojas- [132-65-0] Aguilar, J. A. De los Reyes, J. A. Munoz-
(2) Cyclohexane; C6H12; Arroyo, and F. Murrieta-Guevara, J. [110-82-7] Chem. Eng. Data 52, 2212 (2007). Components: Original Measurements: 43 (1) Dibenzothiophene; C12H8S; L. F. Ramirez-Verduzco, A. Rojas- Variables: Prepared by: [132-65-0] Aguilar, J. A. De los Reyes, J. A. Munoz- Temperature W. E. Acree, Jr.
(2) Hexadecane; C16H34; Arroyo, and F. Murrieta-Guevara, J. [544-76-3] Chem. Eng. Data 52, 2212 (2007). Experimental Values Variables: Prepared by: Temperature W. E. Acree, Jr. a b T/K x2 x1 Experimental Values 309.3 0.9504 0.0496 321.1 0.9129 0.0871 328.8 0.8709 0.1291 a b 335.6 0.8011 0.1989 T/K x2 x1 349.6 0.5076 0.4924 291.1 0.9939 0.0061 353.5 0.4070 0.5930 290.9 0.9816 0.0184 ax 290.8 0.9695 0.0305 2: mole fraction of component 2 in the saturated solution. bx 290.6 0.9573 0.0427 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 290.6 0.9561 0.0439 290.7 0.9549 0.0451 291.0 0.9537 0.0463 292.2 0.9525 0.0475 293.0 0.9503 0.0497 293.7 0.9496 0.0504 304.4 0.9274 0.0726 315.0 0.8992 0.1008 319.9 0.8799 0.1201 331.5 0.8217 0.1783
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Auxiliary Information Estimated Error: Temperature: 0.5 K. Method/Apparatus/Procedure: x1: 0.0005. Heating circulating bath and platinum resistance temperature probe. Synthetic mixtures of known compositions were prepared by mass. Samples were slowly heated in a temperature bath, and the temperature at which the last amount of solid solute dissolved was measured. The temperature obtained was taken to represent the saturation point for the mixture being studied. 7.4. Dibenzothiophene solubility data in miscellaneous organic solvents Source and Purity of Chemicals: (1) 98.0%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as received. Components: Original Measurements: (2) 99.9%, Aldrich Chemical Company, was used as received. 43 (1) Dibenzothiophene; C12H8S; L. F. Ramirez-Verduzco, A. Rojas- [132-65-0] Aguilar, J. A. De los Reyes, J. A. Munoz- Estimated Error: (2) Ethanenitrile; C H N; Arroyo, and F. Murrieta-Guevara, J. Temperature: 0.5 K. 2 3 [75-05-8] Chem. Eng. Data 52, 2212 (2007). x1: 0.0005. Variables: Prepared by: Temperature W. E. Acree, Jr.
7.3. Dibenzothiophene solubility data in esters Experimental Values
a b Components: Original Measurements: T/K x2 x1 43 (1) Dibenzothiophene; C12H8S; L. F. Ramirez-Verduzco, A. 303.7 0.9801 0.0199 [132-65-0] Rojas-Aguilar, J. A. De los Reyes, 323.1 0.9478 0.0522 H (2) Dihydro-2(3 )-furanone J. A. Munoz-Arroyo, and F. 332.0 0.8979 0.1021 γ ( -butyrolactone); C4H6O2; [96-48-0] Murrieta-Guevara, J. Chem. Eng. 338.1 0.8014 0.1986 Data 52, 2212 (2007). 341.8 0.6908 0.3092 Variables: Prepared by: 344.8 0.6044 0.3956 Temperature W. E. Acree, Jr. 347.1 0.5396 0.4604 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Experimental Values
a b T/K x2 x1 281.3 0.9401 0.0599 Auxiliary Information 289.7 0.9238 0.0762 Method/Apparatus/Procedure: 300.1 0.8953 0.1047 Heating circulating bath and platinum resistance temperature probe. 307.9 0.8652 0.1348 Synthetic mixtures of known compositions were prepared by mass. Samples 314.6 0.8332 0.1668 were slowly heated in a temperature bath, and the temperature at which the last 320.2 0.7989 0.2011 amount of solid solute dissolved was measured. The temperature obtained was 325.2 0.7624 0.2376 taken to represent the saturation point for the mixture being studied. 329.4 0.7257 0.2743 337.6 0.6370 0.3630 Source and Purity of Chemicals: 344.6 0.5365 0.4635 (1) 98.0%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as 351.5 0.4167 0.5833 received. 354.8 0.3497 0.6503 (2) 99.9%, Fermont Company, was used as received. 362.4 0.1924 0.8076 a Estimated Error: x2: mole fraction of component 2 in the saturated solution. b Temperature: 0.5 K. x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). x1: 0.0005.
Auxiliary Information / / Method Apparatus Procedure: Components: Original Measurements: Heating circulating bath and platinum resistance temperature probe. 35 (1) Dibenzothiophene; C12H8S; [132-65-0] Z. Lisicki and M. E. Jamro´z, Synthetic mixtures of known compositions were prepared by mass. Samples (2) N,N-Dimethylacetamide; C4H9NO; J. Chem. Thermodyn. 32, were slowly heated in a temperature bath, and the temperature at which the last [127-19-5] 1335 (2000). amount of solid solute dissolved was measured. The temperature obtained was taken to represent the saturation point for the mixture being studied. Variables: Prepared by: Temperature W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98.0%, Aldrich Chemical Company, Milwaukee, WI, USA, was used as received. (2) 99.0%, Aldrich Chemical Company, was used as received.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-73
Experimental Values Experimental Values
a b a b T/K x2 x1 T/K x2 x1 253.2 1.0000 0.0000 248.5 1.0000 0.0000 252.9 0.9892 0.0108 247.3 0.9798 0.0202 252.1 0.9790 0.0210 246.3 0.9648 0.0352 251.3 0.9673 0.0327 245.7 0.9463 0.0537 250.6 0.9463 0.0537 244.7 0.9195 0.0805 250.9 0.9250 0.0750 248.1 0.8797 0.1203 256.5 0.9140 0.0860 276.6 0.8390 0.1610 269.0 0.8912 0.1088 284.8 0.7940 0.2060 289.7 0.8299 0.1701 298.2 0.7393 0.2607 300.7 0.7848 0.2152 309.2 0.6871 0.3129 318.0 0.6875 0.3175 318.0 0.6389 0.3611 331.9 0.5729 0.4271 325.9 0.5859 0.4141 341.4 0.4727 0.5273 330.5 0.5525 0.4475 347.8 0.3979 0.6021 336.6 0.4936 0.5064 355.3 0.2926 0.7074 342.1 0.4444 0.5556 361.4 0.1906 0.8094 347.3 0.3851 0.6149 366.9 0.0990 0.9010 353.5 0.2968 0.7032 369.0 0.0498 0.9502 359.3 0.2133 0.7867 371.8 0.0000 1.0000 366.3 0.0977 0.9023 a 371.8 0.0000 1.0000 x2: mole fraction of component 2 in the saturated solution. b a x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
The authors reported that the binary system exhibits simple eutectic behavior, with a eutectic temperature of T/K ¼ 249.6 The authors reported that the binary system exhibits simple T ¼ and eutectic composition of x1 ¼ 0.073. eutectic behavior, with a eutectic temperature of /K 242.7 and eutectic composition of x1 ¼ 0.111. Auxiliary Information Auxiliary Information Method/Apparatus/Procedure: Temperature-controlled heating/cooling system and a shaking-mixing system. Method/Apparatus/Procedure: Synthetic mixtures of known compositions were weighed in small glass Temperature-controlled heating/cooling system and a shaking-mixing system. ampoules. The mixture composition was known to within 0.0002. mole Synthetic mixtures of known compositions were weighed in small glass fraction. Ampoules were cooled to very low temperatures of about 220 K, ampoules. The mixture composition was known to within 0.0002 mole pumped down and sealed. The sealed mixtures were then melted, cooled fraction. Ampoules were cooled to very low temperatures of about 220 K, rapidly, and reheated. The rate of reheating was at an approximate rate of pumped down and sealed. The sealed mixtures were then melted, cooled 8 10 5 K/s just before complete dissolution. The temperatures at which the rapidly, and reheated. The rate of reheating was at an approximate rate of solid completely dissolved were recorded. The average of two or three 8 10 5 K/s just before complete dissolution. The temperatures at which the independent measurements was taken as the solid-liquid equilibrium. solid completely dissolved were recorded. The average of two or three independent measurements was taken as the solid-liquid equilibrium. Source and Purity of Chemicals: (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized Source and Purity of Chemicals: twice from ethanol in the presence of activated carbon, and then recrystallized (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized from methylbenzene. twice from ethanol in the presence of activated carbon, and then recrystallized (2) Purest grade, Merck-Schuchardt, was distilled under reduced pressure and from methylbenzene. dried over molecular sieves to produce a sample of 99.9% purity (mass (2) Technical Grade, BASF, Federal Republic of Germany, was purified by percent). treatment with a 2% solution of potassium permanganate, and then distilled under reduced pressure to collect the distillate having 99.8% purity (mass Estimated Error: percent). The purified sample was dried over molecular sieves. Temperature: 0.2 K (estimated by compiler). x1: 0.0002. Estimated Error: Temperature: 0.2 K (estimated by compiler).
x1: 0.0002.
Components: Original Measurements: 35 (1) Dibenzothiophene; C12H8S; [132-65-0] Z. Lisicki and M. E. Jamro´z, (2) 1-Methyl-2-pyrrolidone; C5H9NO; J. Chem. Thermodyn. 32, Components: Original Measurements: 35 [872-50-4] 1335 (2000). (1) Dibenzothiophene; C12H8S; [132-65-0] Z. Lisicki and M. E. (2) Hexahydro-1-methyl-2H-azepin-2-one (N- Jamro´z, J. Chem. Variables: Prepared by: Methyl-ε-caprolactam); C H NO; [2556-73-2] Thermodyn. 32, 1335 Temperature W. E. Acree, Jr. 7 13 (2000). Variables: Prepared by: Temperature W. E. Acree, Jr.
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Experimental Values tioned systems there was only a single measurement made near 298.15 K. The volume also included phase diagram informa- a b tion for binary fluoranthene + benzene, fluoranthene + 1,2,4,5- T/K x2 x1 279.6 1.0000 0.0000 tetramethylbenzene, fluoranthene + naphthalene, fluoranthene 282.3 0.7978 0.2022 + 2-methylnaphthalene, fluoranthene + 2,7-dimethylnaphtha- 296.7 0.7494 0.2506 lene, fluoranthene + fluorene, fluoranthene + anthracene, 305.4 0.7023 0.2977 fluoranthene + phenanthrene, fluoranthene + acenaphthene, 313.8 0.6489 0.3511 fluoranthene + chrysene, fluoranthene + 1,4-dinitrobenzene, 321.6 0.5982 0.4018 328.4 0.5493 0.4507 fluoranthene + 1,4-dinitrobenzene, fluoranthene + 1,3,5-trini- 335.5 0.4948 0.5052 trobenzene, fluoranthene + 1,2,3,5-tetranitrobenzene, fluor- 345.9 0.3917 0.6083 anthene + 2,3-nitromethylbenzene, fluoranthene + 2,4- 354.3 0.2859 0.7141 dinitrophenol, fluoranthene + 2,4,6-trinitromethylbenzene, 360.4 0.1977 0.8023 fluoranthene + 2,4,6-trinitromethoxybenzene, fluoranthene + 365.6 0.1091 0.8909 371.8 0.0000 1.0000 2,4,6-trinitroaniline, fluoranthene + 2-chloro-1,3,5-trinitro- a benzene, and fluoranthene + 3-methyl-2,4,6-trinitrophenol x2: mole fraction of component 2 in the saturated solution. b mixtures. Solubility data contained in Vol. 59 will not be x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). republished here. The listing above is provided so that readers will know what solubility data are available in the earlier volume for fluoranthene. Auxiliary Information There have been three studies that reported solubility data for fluoranthene dissolved in organic solvents after Vol. 59 was Method/Apparatus/Procedure: 44 Temperature-controlled heating/cooling system and a shaking-mixing system. published in 1995. Hernández and Acree determined the Synthetic mixtures of known compositions were weighed in small glass solubility of fluoranthene in 36 different organic solvents ampoules. The mixture composition was known to within 0.0002 mole containing ether-, hydroxy-, ester-, chloro-, methyl-, and fraction. Ampoules were cooled to very low temperatures of about 220 K, tert-butyl functional groups. Roy et al.45 later measured pumped down and sealed. The sealed mixtures were then melted, cooled fluoranthene solubilities in benzene, methylbenzene, trichlor- rapidly, and reheated. The rate of reheating was at an approximate rate of 8 10 5 K/s just before complete dissolution. The temperatures at which the omethane, tetrachloromethane, 1,2-dichloroethane, 1-chloro- solid completely dissolved were recorded. The average of two or three hexane, 1,2-ethanediol, 2,2,2-trifluoroethanol, ethanenitrile, independent measurements was taken as the solid-liquid equilibrium. N,N-dimethylformamide, and N,N-dimethylformamide. The experimental measurements were performed at the single Source and Purity of Chemicals: temperature of 298.15 K and used to test the limitations and (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized twice from ethanol in the presence of activated carbon, and then recrystallized applications of predictive expressions based on Mobile Order from methylbenzene. theory. For the majority of the solvents studied by Hernández 44 45 (2) Technical Grade, Leuna Werke, Federal Republic of Germany, was and Acree and by Roy et al. there is only the single purified by super-rectification and then dried over molecular sieves to give a experimental value, and it is not possible to perform a critical sample having a purity of 99.9% by mass. evaluation on most of the published data. Estimated Error: There exist independent experimental values for the solu- c ¼ 3 Temperature: 0.2 K (estimated by compiler). bility of fluoranthene in both methanol [ 1 0.0704 mol dm x c ¼ 3 1: 0.0002. at 296.15 K (Ref. 46)] and 1-octanol [ 1 0.1726 mol dm at 3 298.15 K (Ref. 47) and c1 ¼ 0.198 mol dm at 296.15 K (Ref. 46)] measured at or near 298.15 K in Vol. 59 of the Solubility Data Series.3 The experimental solubility data 8. Solubility of Fluoranthene in Organic determined by Hernández and Acree,44 when converted to 3 Solvents molar solubilities (c1 ¼ 0.0557 mol dm for methanol and c1 ¼ 0.198 mol dm 3 for 1-octanol), are in reasonably good 8.1. Critical evaluation of experimental agreement with the earlier published values. McLauglin and solubility data Zainal11 conducted fluoranthene solubility measurements Vol. 59 in the IUPAC Solubility Data Series3 contained in cyclohexane from 301.8 to 344.2 K. The dataset is in experimental solubility data for fluoranthene in one Vol. 59.3 Analysis of the measured fluoranthene mole fraction cycloalkane (cyclohexane), in one aromatic hydrocarbon solubilities using Eq. (3) gave the following mathematical (methylbenzene), in one cyclic ether (1,4-dioxane), in one correlation: chlorinated alkane (tetrachloromethane) and chlorinated : aromatic hydrocarbon (chlorobenzene), in three alkanols x ¼ : 4127 4 þ : T: ð Þ ln 1 10 549 T 3 544 ln 8 (methanol, ethanol and 1-octanol) and one substituted phenol (1-hydroxy-2-methylbenzene), in one alkanone (propanone), Equation (8) provides a reasonably accurate mathematical and in three miscellaneous organic solvents (pyridine, nitro- description of the solubility behavior of fluoranthene in cyclo- benzene and dimethylsulfoxide). For each of the aforemen- hexane. Differences between the experimental data and values
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-75 back-calculated using Eq. (8) were on the order of 11% or less. Components: Original Measurements: x ¼ 44 Equation (8) gives an extrapolated value of 1 0.01502 for (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. the mole fraction solubility of fluoranthene in cyclohexane, (2) Heptane; C7H16; [142-82-5] Acree, Jr., Can. J. Chem. 76, 1312 (1998). which is less than the value of x1 ¼ 0.01807 that was reported by Hernández and Acree.44 Differences in chemical purities Variables: Prepared by: and experimental methodologies were the likely causes of the T/K ¼ 298.15 W. E. Acree, Jr. deviations noted in the published solubility data for fluor- anthene dissolved in methanol, 1-octanol and cyclohexane Experimental Values noted above. The experimental solubility data for fluoranthene in the x (s)a x b x c different organic solvents are given in Secs. 8.2–8.8. 2 2 1 1.0000 0.9813 0.01870 a (s) x2 : initial mole fraction of component 2 in the solution. 8.2. Fluoranthene solubility data in saturated b x2: mole fraction of component 2 in the saturated solution. c hydrocarbons (including cycloalkanes) x1: mole fraction solubility of the solute.
Components: Original Measurements: (1) Fluoranthene; C H ; [206-44-0] 44C. E. Hernández and W. E. 16 10 Auxiliary Information (2) Hexane; C6H14; [110-54-3] Acree, Jr., Can. J. Chem. 76, 1312 (1998). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and x (s)a x b x c diluted with methanol. Concentrations were determined by 2 2 1 spectrophotometric measurements at 357 nm. 1.0000 0.9852 0.01476 a (s) x2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: b x2: mole fraction of component 2 in the saturated solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was c x1: mole fraction solubility of the solute. recrystallized several times from methanol. (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x : 1.5% (relative error). Method/Apparatus/Procedure: 1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: 44 was verified by several repetitive measurements and by approaching (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrium from supersaturation. Aliquots of saturated solutions were (2) Octane; C8H18; [111-65-9] Acree, Jr., Can. J. Chem. 76, transferred through a coarse filter into tared volumetric flasks, weighed and 1312 (1998). diluted with methanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 357 nm. T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x (s)a x b x c Estimated Error: 2 2 1 Temperature: 0.1 K. 1.0000 0.9774 0.02260 x a (s) 1: 1.5% (relative error). x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-76 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 44 Method/Apparatus/Procedure: (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Decane; C10H22; [124-18-5] Acree, Jr., Can. J. Chem. 76, visible spectrophotometer. 1312 (1998). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9698 0.03015 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2: mole fraction of component 2 in the saturated solution. c sieves before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Excess solute and solvent were placed in amber glass bottles and allowed to (2) Nonane; C9H20; [111-84-2] Acree, Jr., Can. J. Chem. 76, equilibrate for several days at constant temperature. Attainment of equilibrium 1312 (1998). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves 1.0000 0.9736 0.02642 before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Fluoranthene; C H ; [206-44-0] 44C. E. Hernández and W. E. visible spectrophotometer. 16 10 (2) Hexadecane; C H ; [544-76-3] Acree, Jr., Can. J. Chem. 76, Excess solute and solvent were placed in amber glass bottles and allowed to 16 34 1312 (1998). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values
Source and Purity of Chemicals: (s)a b c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9495 0.05046 (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves a (s) x2 : initial mole fraction of component 2 in the solution. before use. b x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. Estimated Error: 1 Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-77
Auxiliary Information Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, no purification / / Method Apparatus Procedure: details were given in the paper. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 99%, Aldrich Chemical Company, purification details were not given in the visible spectrophotometer. paper. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Estimated Error: was verified by several repetitive measurements and by approaching Temperature: Authors state a global accuracy of 1% regarding their equilibrium from supersaturation. Aliquots of saturated solutions were measurements. transferred through a coarse filter into tared volumetric flasks, weighed and x1: 0.0002 (estimated by compiler). diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Components: Original Measurements: 44 recrystallized several times from methanol. (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. (2) Cyclohexane; C6H12; [110-82-7] Acree, Jr., Can. J. Chem. 76, 1312 (1998). Estimated Error: Variables: Prepared by: Temperature: 0.1 K. T/K ¼ 298.15 W. E. Acree, Jr. x1: 1.5% (relative error).
Experimental Values
Components: Original Measurements: 15 x (s)a x b x c (1) Fluoranthene; C16H10; [206-44-0] A. Aoulmi, M. Bouroukba, 2 2 1 (2) Octacosane; C28H58; [630-02-4] R. Solimando, and M. Rogalski, 1.0000 0.9819 0.01807 Fluid Phase Equilib. 110, 283 a (s) x2 : initial mole fraction of component 2 in the solution. (1995). b x2: mole fraction of component 2 in the saturated solution. c Variables: Prepared by: x1: mole fraction solubility of the solute. Temperature W. E. Acree, Jr.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: T x a x b /K 2 1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 333.91 1.0000 0.0000 visible spectrophotometer. 333.75 0.8993 0.1007 Excess solute and solvent were placed in amber glass bottles and allowed to 333.65 0.7978 0.2022 equilibrate for several days at constant temperature. Attainment of equilibrium 333.21 0.7001 0.2999 was verified by several repetitive measurements and by approaching 349.40 0.5979 0.4021 equilibrium from supersaturation. Aliquots of saturated solutions were 362.55 0.5001 0.4999 transferred through a coarse filter into tared volumetric flasks, weighed and 370.34 0.3976 0.6024 diluted with methanol. Concentrations were determined by 372.26 0.3350 0.6650 spectrophotometric measurements at 357 nm. 373.09 0.3001 0.6999 377.28 0.2004 0.7996 Source and Purity of Chemicals: 379.29 0.1002 0.8998 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 382.35 0.0000 1.0000 recrystallized several times from methanol. a (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves x2: mole fraction of component 2 in the saturated solution. b before use. x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Estimated Error: Temperature: 0.1 K.
The authors employed a SSF to describe the activity coeffi- x1: 1.5% (relative error). cients of fluoranthene and octacosane calculated from the solid-liquid equilibrium data. The SSF model gave a calcu- lated eutectic temperature of T/K ¼ 329.7 and eutectic mole x ¼ Components: Original Measurements: fraction of fluoranthene of 1 0.270. 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. (2) Methylcyclohexane; C7H14; [108-87-2] Acree, Jr., Can. J. Chem. 76, Auxiliary Information 1312 (1998). Method/Apparatus/Procedure: Variables: Prepared by: T ¼ Differential scanning calorimeter. /K 298.15 W. E. Acree, Jr. The phase diagram was determined using a differential scanning calorimeter. Measurements were performed at a constant fixed scanning rate of 0.5 K/min.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-78 WILLIAM E. ACREE, JR.
Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2 x2 x1 use. 1.0000 0.9782 0.02179 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 44 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. visible spectrophotometer. (2) 2,2,4-Trimethylpentane; C8H18; Acree, Jr., Can. J. Chem. 76, Excess solute and solvent were placed in amber glass bottles and allowed to [540-84-1] 1312 (1998). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 357 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9884 0.01162 recrystallized several times from methanol. ax (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 2 : initial mole fraction of component 2 in the solution. bx sieves before use. 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Cyclooctane; C8H16; [292-64-8] Acree, Jr., Can. J. Chem. 76, was verified by several repetitive measurements and by approaching 1312 (1998). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm.
Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves x2 x2 x1 before use. 1.0000 0.9699 0.03011 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. / / Method Apparatus Procedure: (2) tert-Butylcyclohexane; C10H20; Acree, Jr., Can. J. Chem. 76, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [3178-22-1] 1312 (1998). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: T ¼ equilibrate for several days at constant temperature. Attainment of equilibrium /K 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-79
Experimental Values The authors employed a SSF to describe the activity coeffi- cients of fluoranthene and squalane calculated from the solid- x (s)a x b x c liquid equilibrium data. The SSF model gave a calculated 2 2 1 eutectic temperature of T/K ¼ 234.1 and eutectic mole fraction 1.0000 0.9752 0.02482 x ¼ a (s) of fluoranthene of 1 0.006. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Auxiliary Information x1: mole fraction solubility of the solute. Method/Apparatus/Procedure: Simple thermal analysis device constructed in the authors’ laboratory, and a high precision platinum-resistance thermometer. The phase diagram was determined using a simple thermal device. A sample of Auxiliary Information known composition was placed in a thermostatted glass tube, melted and then Method/Apparatus/Procedure: slowly cooled at a rate of about 1 K/min. The temperature of the sample was Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ measured with a high precision platinum-resistance thermometer. The visible spectrophotometer. crystallization temperature was obtained from a plot of the cooling curve Excess solute and solvent were placed in amber glass bottles and allowed to versus time. Each measurement was repeated three times. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Source and Purity of Chemicals: equilibrium from supersaturation. Aliquots of saturated solutions were (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, no purification transferred through a coarse filter into tared volumetric flasks, weighed and details were given in the paper. diluted with methanol. Concentrations were determined by (2) 99%, Aldrich Chemical Company, purification details were not given in the spectrophotometric measurements at 357 nm. paper.
Source and Purity of Chemicals: Estimated Error: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Temperature: Authors state a global accuracy of 1% regarding their recrystallized several times from methanol. measurements. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x1: 0.0002 (estimated by compiler). use.
Estimated Error: Temperature: 0.1 K. 8.3. Fluoranthene solubility data in aromatic x : 1.5% (relative error). 1 hydrocarbons
Components: Original Measurements: Components: Original Measurements: 15 (1) Fluoranthene; C H ; [206-44-0] 45L. E. Roy, C. E. Hernández, and (1) Fluoranthene; C16H10; [206-44-0] A. Aoulmi, M. Bouroukba, 16 10 (2) Benzene; C H ; [71-43-2] W. E. Acree, Jr., Polycyclic (2) Squalane; C30H62; [111-01-3] R. Solimando, and M. Rogalski, 6 6 Fluid Phase Equilib. 110, 283 Aromat. Compd. 13, 205 (1999). (1995). Variables: Prepared by: T ¼ Variables: Prepared by: /K 298.15 W. E. Acree, Jr. Temperature W. E. Acree, Jr.
Experimental Values Experimental Values
(s)a b c x2 x2 x1 a b T/K x2 x1 1.0000 0.8789 0.1211 a (s) 339.75 0.7944 0.2056 x2 : initial mole fraction of component 2 in the solution. b 354.45 0.6928 0.3072 x2: mole fraction of component 2 in the saturated solution. c 362.85 0.5987 0.4013 x1: mole fraction solubility of the solute. 369.05 0.4970 0.5030 372.95 0.4000 0.6000 374.65 0.3505 0.6495 375.75 0.2998 0.7002 377.60 0.2008 0.7992 378.35 0.1502 0.8498 378.95 0.1019 0.8981 380.05 0.0510 0.9490 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-80 WILLIAM E. ACREE, JR.
Auxiliary Information 8.4. Fluoranthene solubility data in esters Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Ethyl ethanoate; C4H8O2; [141-78-6] Acree, Jr., Can. J. Chem. 76, was verified by several repetitive measurements and by approaching 1312 (1998). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: T ¼ diluted with methanol. Concentrations were determined by /K 298.15 W. E. Acree, Jr. spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, stored over molecular 2 2 1 sieves and distilled shortly before use. 1.0000 0.9141 0.08589 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information
Components: Original Measurements: Method/Apparatus/Procedure: 45 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Fluoranthene; C16H10; [206-44-0] L. E. Roy, C. E. Hernández, and visible spectrophotometer. (2) Methylbenzene; C7H8; [108-88-8] W. E. Acree, Jr., Polycyclic Aromat. Compd. 13, 205 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T ¼ /K 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: x (s)a x b x c 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.8840 0.1160 recrystallized several times from methanol. a (s) (2) 99.9%, HPLC Grade, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Butyl ethanoate; C6H12O2; [123-86-4] Acree, Jr., Can. J. Chem. 76, was verified by several repetitive measurements and by approaching 1312 (1998). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: T ¼ diluted with methanol. Concentrations were determined by /K 298.15 W. E. Acree, Jr. spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99.8%, Aldrich Chemical Company, stored over molecular sieves and 2 2 1 distilled shortly before use. 1.0000 0.8894 0.1106 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-81
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: 44 equilibrium from supersaturation. Aliquots of saturated solutions were (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. transferred through a coarse filter into tared volumetric flasks, weighed and (2) 2-Methoxy-2-methylpropane; C5H12O; Acree, Jr., Can. J. Chem. 76, diluted with methanol. Concentrations were determined by [1634-04-4] 1312 (1998). spectrophotometric measurements at 357 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: (s)a b c x2 x2 x1 Temperature: 0.1 K. 1.0000 0.9524 0.04755 x1: 1.5% (relative error). a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. 8.5. Fluoranthene solubility data in ethers
Components: Original Measurements: Auxiliary Information 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Method/Apparatus/Procedure: ′ (2) 1,1 -Oxybisbutane; C8H18O; [142-96-1] Acree, Jr., Can. J. Chem. 76, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1312 (1998). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9482 0.05177 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99.9+%, Arco Chemical Company, USA, stored over molecular sieves c x1: mole fraction solubility of the solute. before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. 8.6. Fluoranthene solubility data in haloalkanes, Excess solute and solvent were placed in amber glass bottles and allowed to haloalkenes, and haloaromatic hydrocarbons equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Components: Original Measurements: 45 diluted with methanol. Concentrations were determined by (1) Fluoranthene; C16H10; [206-44-0] L. E. Roy, C. E. Hernández, spectrophotometric measurements at 357 nm. (2) Trichloromethane; CHCl3; [67-66-3] and W. E. Acree, Jr., Polycyclic Aromat. Compd. Source and Purity of Chemicals: 13, 205 (1999). (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Variables: Prepared by: recrystallized several times from methanol. T/K ¼ 298.15 W. E. Acree, Jr. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-82 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ x (s)a x b x c 2 2 1 visible spectrophotometer. 1.0000 0.8574 0.1426 Excess solute and solvent were placed in amber glass bottles and allowed to a (s) equilibrate for several days at constant temperature. Attainment of equilibrium x2 : initial mole fraction of component 2 in the solution. b was verified by several repetitive measurements and by approaching x2: mole fraction of component 2 in the saturated solution. c equilibrium from supersaturation. Aliquots of saturated solutions were x1: mole fraction solubility of the solute. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Auxiliary Information Method/Apparatus/Procedure: Source and Purity of Chemicals: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was visible spectrophotometer. recrystallized several times from methanol. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, stored over molecular equilibrate for several days at constant temperature. Attainment of equilibrium sieves and distilled shortly before use. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Estimated Error: transferred through a coarse filter into tared volumetric flasks, weighed and Temperature: 0.1 K. x diluted with methanol. Concentrations were determined by 1: 1.5% (relative error). spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Components: Original Measurements: 45 recrystallized several times from methanol. (1) Fluoranthene; C16H10; [206-44-0] L. E. Roy, C. E. Hernández, and (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, was shaken several (2) 1,2-Dichloroethane; C2H4Cl2; W. E. Acree, Jr., Polycyclic times with an aqueous sodium hydroxide solution and then with distilled water [107-06-2] Aromat. Compd. 13, 205 (1999). to remove the ethanol stabilizer. The resulting solution was dried over both Variables: Prepared by: anhydrous calcium chloride and molecular sieves, and then distilled shortly T/K ¼ 298.15 W. E. Acree, Jr. before use.
Estimated Error: Experimental Values Temperature: 0.1 K. x1: 1.5% (relative error).
(s)a b c x2 x2 x1 1.0000 0.8732 0.1268 ax (s) Components: Original Measurements: 2 : initial mole fraction of component 2 in the solution. 45 bx (1) Fluoranthene; C16H10; [206-44-0] L. E. Roy, C. E. Hernández, 2: mole fraction of component 2 in the saturated solution. cx (2) Tetrachloromethane; CCl4; [56-23-5] and W. E. Acree, Jr., 1: mole fraction solubility of the solute. Polycyclic Aromat. Compd. 13, 205 (1999). Auxiliary Information Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Experimental Values Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching (s)a b c x2 x2 x1 equilibrium from supersaturation. Aliquots of saturated solutions were 1.0000 0.9184 0.08157 transferred through a coarse filter into tared volumetric flasks, weighed and a (s) diluted with methanol. Concentrations were determined by x2 : initial mole fraction of component 2 in the solution. b spectrophotometric measurements at 357 nm. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8%, HPLC Grade, Aldrich Chemical Company, stored over molecular sieves and distilled shortly before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-83
Auxiliary Information Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Method/Apparatus/Procedure: (2) 1-Chlorobutane; C4H9Cl; [109-69-3] Acree, Jr., Can. J. Chem. 76, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1312 (1998). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.8867 0.1133 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and c x1: mole fraction solubility of the solute. distilled shortly before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 44 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1-Chlorooctane; C8H17Cl; [111-85-3] Acree, Jr., Can. J. Chem. 76, was verified by several repetitive measurements and by approaching 1312 (1998). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99.5+%, HPLC Grade, Sigma-Aldrich Chemical Company, stored over 2 2 1 molecular sieves before use. 1.0000 0.8633 0.1367 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 45 (1) Fluoranthene; C16H10; [206-44-0] L. E. Roy, C. E. Hernández, and Method/Apparatus/Procedure: (2) 1-Chlorohexane; C6H13Cl; W. E. Acree, Jr., Polycyclic Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [544-10-5] Aromat. Compd. 13, 205 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.8685 0.1315 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-84 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Method/Apparatus/Procedure: (2) Chlorocyclohexane; C6H11Cl; Acree, Jr., Can. J. Chem. 76, 1312 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [542-18-7] (1998). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.8841 0.1159 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99.9+%, Aldrich Chemical Company, stored over molecular sieves before c x1: mole fraction solubility of the solute. use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 44 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Ethanol; C2H6O; [64-17-5] Acree, Jr., Can. J. Chem. 76, was verified by several repetitive measurements and by approaching 1312 (1998). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 2 1 1.0000 0.9946 0.00544 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Auxiliary Information 8.7. Fluoranthene solubility data in alcohols Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Methanol; CH4O; [67-56-1] Acree, Jr., Can. J. Chem. 76, was verified by several repetitive measurements and by approaching 1312 (1998). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) Absolute, Aaper Alcohol and Chemical Company, USA, stored over 2 2 1 molecular sieves before use. 1.0000 0.9977 0.002267 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x x1: mole fraction solubility of the solute. 1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-85
Auxiliary Information Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Method/Apparatus/Procedure: (2) 1-Propanol; C3H8O; [71-23-8] Acree, Jr., Can. J. Chem. 76, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1312 (1998). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9933 0.00670 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 44 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1-Butanol; C4H10O; [71-36-3] Acree, Jr., Can. J. Chem. 76, was verified by several repetitive measurements and by approaching 1312 (1998). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 2 2 1 sieves before use. 1.0000 0.9900 0.00996 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Fluoranthene; C H ; [206-44-0] 44C. E. Hernández and W. E. 16 10 visible spectrophotometer. (2) 2-Propanol; C H O; [67-63-0] Acree, Jr., Can. J. Chem. 76, 3 8 Excess solute and solvent were placed in amber glass bottles and allowed to 1312 (1998). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9952 0.00475 recrystallized several times from methanol. a (s) (2) 99.8+%, HPLC Grade, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-86 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Method/Apparatus/Procedure: (2) 2-Butanol; C4H10O; [78-92-2] Acree, Jr., Can. J. Chem. 76, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1312 (1998). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9930 0.00702 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 44 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1-Pentanol; C5H12O; [71-41-0] Acree, Jr., Can. J. Chem. 76, was verified by several repetitive measurements and by approaching 1312 (1998). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 2 2 1 sieves before use. 1.0000 0.9855 0.01446 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Fluoranthene; C H ; [206-44-0] 44C. E. Hernández and W. E. 16 10 visible spectrophotometer. (2) 2-Methyl-1-propanol; C H O; Acree, Jr., Can. J. Chem. 76, 4 10 Excess solute and solvent were placed in amber glass bottles and allowed to [78-83-1] 1312 (1998). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9950 0.00495 recrystallized several times from methanol. a (s) (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2 : initial mole fraction of component 2 in the solution. b use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-87
Auxiliary Information Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Method/Apparatus/Procedure: (2) 2-Pentanol; C5H12O; [6032-29-7] Acree, Jr., Can. J. Chem. 76, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1312 (1998). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9898 0.01021 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 44 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2-Methyl-2-butanol; C5H12O; Acree, Jr., Can. J. Chem. 76, 1312 was verified by several repetitive measurements and by approaching [75-85-4] (1998). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. 2 2 1 1.0000 0.9903 0.00970 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Components: Original Measurements: 44 Auxiliary Information (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. (2) 3-Methyl-1-butanol; C5H12O; Acree, Jr., Can. J. Chem. 76, 1312 Method/Apparatus/Procedure: [123-51-3] (1998). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by (s)a b c spectrophotometric measurements at 357 nm. x2 x2 x1 1.0000 0.9914 0.00862 Source and Purity of Chemicals: a (s) x2 : initial mole fraction of component 2 in the solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was b x2: mole fraction of component 2 in the saturated solution. recrystallized several times from methanol. c x1: mole fraction solubility of the solute. (2) 99+%, Acros Organics, USA, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-88 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Method/Apparatus/Procedure: (2) 1-Hexanol; C6H14O; [111-27-3] Acree, Jr., Can. J. Chem. 76, 1312 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1998). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9801 0.01986 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 44 visible spectrophotometer. (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 4-Methyl-2-pentanol; C6H14O; Acree, Jr., Can. J. Chem. 76, 1312 equilibrate for several days at constant temperature. Attainment of equilibrium [108-11-2] (1998). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 d (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. 1.0000 0.9905 0.00948 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x d 1: 1.5% (relative error). There is a typographical error in the published mole fraction solubility. The correct value is 0.00948.
Components: Original Measurements: (1) Fluoranthene; C H ; [206-44-0] 44C. E. Hernández and W. E. 16 10 Auxiliary Information (2) 2-Methyl-1-pentanol; C6H14O; Acree, Jr., Can. J. Chem. 76, 1312 [105-30-6] (1998). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Experimental Values was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and x (s)a x b x c diluted with methanol. Concentrations were determined by 2 2 1 spectrophotometric measurements at 357 nm. 1.0000 0.9883 0.01172 a (s) x2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: b x2: mole fraction of component 2 in the saturated solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was c x1: mole fraction solubility of the solute. recrystallized several times from methanol. (2) 99+%, Acros Organics, USA, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-89
Estimated Error: Auxiliary Information Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: was verified by several repetitive measurements and by approaching 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrium from supersaturation. Aliquots of saturated solutions were (2) 1-Heptanol; C7H16O; [111-70-6] Acree, Jr., Can. J. Chem. 76, 1312 transferred through a coarse filter into tared volumetric flasks, weighed and (1998). diluted with methanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 357 nm. T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.9748 0.02524 Temperature: 0.1 K. ax (s) 2 : initial mole fraction of component 2 in the solution. x1: 1.5% (relative error). b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Auxiliary Information (2) 2-Ethyl-1-hexanol; C8H18O; Acree, Jr., Can. J. Chem. 76, 1312 [104-76-7] (1998). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and x (s)a x b x c diluted with methanol. Concentrations were determined by 2 2 1 spectrophotometric measurements at 357 nm. 1.0000 0.9822 0.01782 a (s) x2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: b x2: mole fraction of component 2 in the saturated solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was cx : mole fraction solubility of the solute. recrystallized several times from methanol. 1 (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. Method/Apparatus/Procedure: x 1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: was verified by several repetitive measurements and by approaching 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. equilibrium from supersaturation. Aliquots of saturated solutions were (2) 1-Octanol; C8H18O; [111-87-5] Acree, Jr., Can. J. Chem. 76, 1312 transferred through a coarse filter into tared volumetric flasks, weighed and (1998). diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Variables: Prepared by: T ¼ /K 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before use. x (s)a x b x c 2 2 1 Estimated Error: 1.0000 0.9687 0.03125 Temperature: 0.1 K. a (s) x1: 1.5% (relative error). x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-90 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 44 (1) Fluoranthene; C16H10; [206-44-0] C. E. Hernández and W. E. Method/Apparatus/Procedure: (2) Cyclopentanol; C5H10O; [96-41-3] Acree, Jr., Can. J. Chem. 76, 1312 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1998). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9823 0.01772 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves and c x1: mole fraction solubility of the solute. distilled shortly before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 45 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Fluoranthene; C16H10; [206-44-0] L. E. Roy, C. E. Hernández, and equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2,2,2-Trifluoroethanol; C2H3F3O; W. E. Acree, Jr., Polycyclic was verified by several repetitive measurements and by approaching [75-89-8] Aromat. Compd. 13, 205 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 2 1 1.0000 0.9992 0.000772 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Fluoranthene; C H ; [206-44-0] 45L. E. Roy, C. E. Hernández and 16 10 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1,2-Ethanediol; C H O ; [107-21-1] W. E. Acree, Jr., Polycyclic 2 6 2 visible spectrophotometer. Aromat. Compd. 13, 205 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9992 0.000750 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Aldrich Chemical Company, stored over molecular sieves and x2: mole fraction of component 2 in the saturated solution. c distilled shortly before use. x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-91
8.8. Fluoranthene solubility data in miscellaneous Auxiliary Information organic solvents Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium (1) Fluoranthene; C H ; [206-44-0] 45L. E. Roy, C. E. Hernández, and 16 10 was verified by several repetitive measurements and by approaching (2) Ethanenitrile; C H N; [75-05-8] W. E. Acree, Jr., Polycyclic 2 3 equilibrium from supersaturation. Aliquots of saturated solutions were Aromat. Compd. 13, 205 (1999). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular (s)a b c x2 x2 x1 sieves and distilled shortly before use. 1.0000 0.9868 0.01315 Estimated Error: ax (s): initial mole fraction of component 2 in the solution. 2 Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 45 Method/Apparatus/Procedure: (1) Fluoranthene; C16H10; [206-44-0] L. E. Roy, C. E. Hernández, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) N,N-Dimethylacetamide; C4H9NO; W. E. Acree, Jr., Polycyclic visible spectrophotometer. [127-19-5] Aromat. Compd. 13, 205 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 357 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.7630 0.2370 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, stored over molecular x2: mole fraction of component 2 in the saturated solution. c sieves and distilled shortly before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. Auxiliary Information x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium (1) Fluoranthene; C H ; [206-44-0] 45L. E. Roy, C. E. Hernández, and 16 10 was verified by several repetitive measurements and by approaching (2) N,N-Dimethylformamide; C H NO; W. E. Acree, Jr., Polycyclic 3 7 equilibrium from supersaturation. Aliquots of saturated solutions were [68-12-2] Aromat. Compd. 13, 205 (1999). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 357 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular (s)a b c x2 x2 x1 sieves and distilled shortly before use. 1.0000 0.8203 0.1797 Estimated Error: ax (s): initial mole fraction of component 2 in the solution. 2 Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-92 WILLIAM E. ACREE, JR.
9. Solubility of Fluorene in Organic only 298.15 K, and except for five alkanol solvents there are Solvents no independent experimental measurements to compare the numerical values against. 9.1. Critical evaluation of experimental Two research groups studied the solubility behavior of solubility data fluorene as a function of temperature. Zou et al.50 examined the solubility of fluorene in methylbenzene, ethanol, 2- Volume 59 in the IUPAC Solubility Data Series3 contained propanol, and 1-butanol at ten different temperatures using experimental solubility data for fluorene dissolved in two a synthetic method with laser monitoring. Han and Wang51 cycloalkanes (cyclohexane and decahydronaphthalene), in later measured the solubility of fluorene in benzene, tri- four aromatic hydrocarbons (benzene, methylbenzene, 1,4- chloromethane, propanone, 1-propanol, 2-methyl-1-propa- dimethylbenzene, and 1,2,3,4-tetrahydronaphalene), in one nol, and methylbenzene from 283 to 323 K also using a laser chlorinated alkane (tetrachloromethane) and one chlorinated monitoring method. The solubility measurements in the benzene (chlorobenzene), in three alkanols (methanol, etha- alkanol solvents from these two studies can be compared nol, and 1-octanol), and in four miscellaneous organic solvents to the values reported by Monárrez et al.48 Reasonably good (nitrobenzene, pyridine, aniline, and thiophene). Except for agreement is found in the case of ethanol (x ¼ 0.00743 in the fluorene + methanol system, each data set contained mole 1 Ref. 48 versus x ¼ 0.00802 in Ref. 50), 1-propanol (x fraction solubilities measured at several temperatures. The 1 1 ¼ 0.01232 in Ref. 48 versus x ¼ 0.01339 in Ref. 51), and 2- volume also included phase diagram information for binary 1 methyl-1-propanol (x ¼ 0.01006 in Ref. 48 versus x fluorene + benzene, fluorene + ethylbenzene, fluorene + 1,3- 1 1 ¼ 0.00902 in Ref. 50). Much larger deviations were dimethylbenzene, fluorene + 1,2,4,5-tetramethylbenzene, observed in the case of 2-propanol (x ¼ 0.00949 in Ref. 48 fluorene + naphthalene, fluorene + 2-methylnaphthalene, 1 versus x ¼ 0.00423 in Ref. 50) and 1-butanol (x ¼ 0.01689 fluorene + 2,7-dimethylnaphthalene, fluorene + fluoranthene, 1 1 in Ref. 48 versus x ¼ 0.01030 in Ref. 50). No explanation is fluorene + acenaphthene, fluorene + chrysene, fluorene + 1,2- 1 given for the larger deviations noted for the latter two dinitrobenzene, fluorene + 1,3-dinitrobenzene, fluorene + 1,4- alkanol solvents. dinitrobenzene, fluorene + 1,3,5-trinitrobenzene, fluorene The internal consistency of the Zou et al.50 and Han and + 1,2,3,5-tetranitrobenzene, fluorene + 2,4-dinitromethylben- Wang51 datasets were assessed by curve-fitting the measured zene, fluorene + 2,4,6-trinitromethylbenzene, fluorene + 2,4- mole fraction solubility to Eq. (3). The numerical values of the dinitrophenol, fluorene + 2,4,6-trinitrophenol, and fluorene equation coefficients (A, B, and C) are given in Table 3, along + 6-methyl-2,3,4-trinitrophenol mixtures. Solubility data con- with the MRD calculated according to Eq. (7). Examination of tained in Vol. 59 will not be republished here. The listing the numerical entries in the last column of Table 3 reveals that above is provided so that readers will know what solubility the largest mean relative percent deviation between the back- data are available in the earlier volume for fluorene. calculated values based on Eq. (3) and experimental data is There have been several studies that reported solubility only 7.1%. Deviations for the other systems are much less and data for fluorene in organic solvents after Vol. 59 was are often even less than the experimental uncertainties in the published in 1995. Monárrez et al.48 investigated the solu- measured values. Results of the mathematical representation bility of fluorene in 13 primary, four secondary, and two analyses indicate that the experimental data for all ten fluor- tertiary alcohols. In a followup study, Stovall et al.49 mea- ene–organic solvent systems are internally consistent. It is sured the solubility of fluorene in several alkane, dialkyl further noted that the two sets of solubility data for fluorene in ether and alkanenitrile solvents. Experimental results from methylbenzene are in good agreement with each other, with both studies were used to test the applications and limitations the calculated average absolute relative deviation being less of the Abraham solvation parameter model in regards to than 2%. solubility predictions. The authors measured the solubility at
TABLE 3. Parameters of the Apelblat equation for describing the solubility of fluorene in various organic solvents Solvent ABCMRD (%) Methylbenzenea 103.83 1180.4 17.162 1.2 Ethanola 102.96 1448.2 16.369 <0.1 2-Propanola 68.045 1896.3 12.096 <0.1 1-Butanola 88.212 508.8 14.390 0.3 Benzeneb 97.752 2365.2 15.401 1.2 Trichloromethaneb 64.383 801.3 10.474 0.7 Propanoneb 64.406 487.2 10.545 2.2 1-Butanolb 65.649 305.9 10.586 2.8 2-Methyl-1-propanolb 96.548 710.9 10.709 7.1 Methylbenzeneb 101.009 1132.4 16.702 3.5 aNumerical values of the coefficients and the percent mean relative deviations were taken from Zou et al.50 bNumerical values of the coefficients and the percent mean relative deviations were taken from Han and Wang.51
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35 Lisicki and Jamro´z reported solid-liquid equilibria data Components: Original Measurements: 49 for binary mixtures containing fluorene with N,N-dimethyla- (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, cetamide, 1-methyl-2-pyrrolidone and hexahydro-1-methyl- (2) Heptane; C7H16; [142-82-5] W. E. Acree, Jr., and M. H. 2H-azepin-2-one (also called N-methyl-ε-caprolactam). The Abraham, Polycyclic Aromat. Compd. 25, 313 (2005). fluorene + N,N-dimethylformamide and anthracene + 1- methyl-2-pyrrolidone systems both exhibited simple eutectic Variables: Prepared by: T ¼ behavior. The published experimental liquidus curves for the /K 298.15 W. E. Acree, Jr. latter three fluorene systems did not indicate any outlier data points. Experimental Values The experimental solubility data for fluorene dissolved in the different organic solvents are given in Secs. 9.2–9.9. (s)a b c x2 x2 x1 1.0000 0.9659 0.03406 9.2. Fluorene solubility data in saturated a (s) x2 : initial mole fraction of component 2 in the solution. b hydrocarbons (including cycloalkanes) x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 49 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, (2) Hexane; C H ; [110-54-3] W. E. Acree, Jr., and M. H. 6 14 Auxiliary Information Abraham, Polycyclic Aromat. Compd. 25, 313 (2005). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and x (s)a x b x c diluted with 2-propanol. Concentrations were determined by 2 2 1 spectrophotometric measurements at 280 nm. 1.0000 0.9696 0.03041 a (s) x2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: b x2: mole fraction of component 2 in the saturated solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was c x1: mole fraction solubility of the solute. recrystallized several times from methanol. (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x : 1.5% (relative error). Method/Apparatus/Procedure: 1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: 49 was verified by several repetitive measurements and by approaching (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, equilibrium from supersaturation. Aliquots of saturated solutions were (2) Octane; C8H18; [111-65-9] W. E. Acree, Jr., and M. H. transferred through a coarse filter into tared volumetric flasks, weighed and Abraham, Polycyclic Aromat. diluted with 2-propanol. Concentrations were determined by Compd. 25, 313 (2005). spectrophotometric measurements at 280 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: x (s)a x b x c Temperature: 0.1 K. 2 2 1 1.0000 0.9625 0.03750 x1: 1.5% (relative error). a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-94 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 49 Method/Apparatus/Procedure: (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Decane; C10H22; [124-18-5] W. E. Acree, Jr., and M. H. visible spectrophotometer. Abraham, Polycyclic Aromat. Excess solute and solvent were placed in amber glass bottles and allowed to Compd. 25, 313 (2005). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9533 0.04669 a (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 49 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, visible spectrophotometer. (2) Nonane; C9H20; [111-84-2] W. E. Acree, Jr., and M. H. Excess solute and solvent were placed in amber glass bottles and allowed to Abraham, Polycyclic Aromat. equilibrate for several days at constant temperature. Attainment of equilibrium Compd. 25, 313 (2005). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves 1.0000 0.9573 0.04269 before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 49 Method/Apparatus/Procedure: (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Undecane; C11H24; [1120-21-4] W. E. Acree, Jr., and M. H. visible spectrophotometer. Abraham, Polycyclic Aromat. Excess solute and solvent were placed in amber glass bottles and allowed to Compd. 25, 313 (2005). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9495 0.05048 a (s) (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves x2 : initial mole fraction of component 2 in the solution. b before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-95
Auxiliary Information Components: Original Measurements: 49 Method/Apparatus/Procedure: (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Hexadecane; C16H34; [544-76-3] W. E. Acree, Jr., and M. H. visible spectrophotometer. Abraham, Polycyclic Aromat. Excess solute and solvent were placed in amber glass bottles and allowed to Compd. 25, 313 (2005). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9322 0.06781 a (s) (2) 99%, Acros Organics, USA, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 49 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Dodecane; C12H26; [112-40-3] W. E. Acree, Jr., and M. H. visible spectrophotometer. Abraham, Polycyclic Aromat. Excess solute and solvent were placed in amber glass bottles and allowed to Compd. 25, 313 (2005). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9470 0.05302 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Fluorene; C H ; [92-52-4] 15A. Aoulmi, M. Bouroukba, visible spectrophotometer. 13 10 (2) Octacosane; C H ; [630-02-4] R. Solimando, and Excess solute and solvent were placed in amber glass bottles and allowed to 28 58 M. Rogalski, Fluid Phase equilibrate for several days at constant temperature. Attainment of equilibrium Equilib. 110, 283 (1995). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and Temperature W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-96 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T/K x a x b 2 1 visible spectrophotometer. 333.91 1.0000 0.0000 Excess solute and solvent were placed in amber glass bottles and allowed to 332.95 0.8981 0.1019 equilibrate for several days at constant temperature. Attainment of equilibrium 332.69 0.7881 0.2119 was verified by several repetitive measurements and by approaching 332.19 0.7540 0.2460 equilibrium from supersaturation. Aliquots of saturated solutions were 340.80 0.6916 0.3084 transferred through a coarse filter into tared volumetric flasks, weighed and 352.41 0.6011 0.3989 diluted with 2-propanol. Concentrations were determined by 359.00 0.4935 0.5065 spectrophotometric measurements at 280 nm. 365.60 0.4002 0.5998 370.67 0.2997 0.7003 Source and Purity of Chemicals: 377.23 0.2002 0.7998 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 382.34 0.1001 0.8999 recrystallized several times from methanol. 387.25 0.0000 1.0000 (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, stored over molecular a sieves before use. x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). The authors employed a SSF to describe the activity coeffi- cients of fluorene and octacosane calculated from the solid- liquid equilibrium data. The SSF model gave a calculated eutectic temperature of T/K ¼ 332.3 and eutectic mole fraction Components: Original Measurements: 49 of fluorene of x1 ¼ 0.226. (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. E. (2) Methylcyclohexane; C7H14; Acree, Jr., and M. H. Abraham, [108-87-2] Polycyclic Aromat. Compd. 25, 313 Auxiliary Information (2005). / / Method Apparatus Procedure: Variables: Prepared by: Differential scanning calorimeter. T/K ¼ 298.15 W. E. Acree, Jr. The phase diagram was determined using a differential scanning calorimeter. Measurements were performed at a constant fixed scanning rate of 0.5 K/min. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, no purification details were given in the paper. (s)a b c x2 x2 x1 (2) 99%, Aldrich Chemical Company, purification details were not given in the paper. 1.0000 0.9602 0.03975 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: Authors state a global accuracy of 1% regarding their x1: mole fraction solubility of the solute. measurements. x1: 0.0002 (estimated by compiler). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. (1) Fluorene; C H ; [92-52-4] 49D. M. Stovall, K. R. Hoover, 13 10 Excess solute and solvent were placed in amber glass bottles and allowed to (2) Cyclohexane; C H ; [110-82-7] W. E. Acree, Jr., and M. H. 6 12 equilibrate for several days at constant temperature. Attainment of equilibrium Abraham, Polycyclic Aromat. was verified by several repetitive measurements and by approaching Compd. 25, 313 (2005). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c x2 x2 x1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9623 0.03768 sieves before use. ax (s) 2 : initial mole fraction of component 2 in the solution. Estimated Error: bx 2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-97
Auxiliary Information Components: Original Measurements: 49 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. E. Method/Apparatus/Procedure: (2) Cyclooctane; C8H16; [292-64-8] Acree, Jr., and M. H. Abraham, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Polycyclic Aromat. Compd. 25, 313 visible spectrophotometer. (2005). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9502 0.04977 recrystallized several times from methanol. a (s) x2 : initial mole fraction of component 2 in the solution. (2) 99.7%, HPLC Grade, Aldrich Chemical Company, stored over molecular b x2: mole fraction of component 2 in the saturated solution. sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 49 visible spectrophotometer. (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. Excess solute and solvent were placed in amber glass bottles and allowed to (2) tert-Butylcyclohexane; C10H20; E. Acree, Jr., and M. H. Abraham, equilibrate for several days at constant temperature. Attainment of equilibrium [3178-22-1] Polycyclic Aromat. Compd. 25, was verified by several repetitive measurements and by approaching 313 (2005). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, Lancaster Synthesis, USA, stored over molecular sieves before use. 2 2 1 1.0000 0.9561 0.04385 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Fluorene; C H ; [92-52-4] 49D. M. Stovall, K. R. Hoover, W. E. 13 10 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2,2,4-Trimethylpentane; C H ; Acree, Jr., and M. H. Abraham, 8 18 visible spectrophotometer. [540-84-1] Polycyclic Aromat. Compd. 25, 313 Excess solute and solvent were placed in amber glass bottles and allowed to (2005). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9746 0.02537 recrystallized several times from methanol. a (s) (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2 : initial mole fraction of component 2 in the solution. b use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-98 WILLIAM E. ACREE, JR.
Components: Original Measurements: 9.3. Fluorene solubility data in aromatic 15 (1) Fluorene; C13H10; [92-52-4] A. Aoulmi, M. Bouroukba, hydrocarbons (2) Squalane; C30H62; [111-01-3] R. Solimando, and M. Rogalski, Fluid Phase Equilib. 110, 283 (1995). Components:` Original Measurements: 51 Variables: Prepared by: (1) Fluorene; C13H10; [92-52-4] Y. Han and Z. Wang, J. Chem. Temperature W. E. Acree, Jr. (2) Benzene; C6H6; [71-43-2] Eng. Data 54, 148 (2009). Variables: Prepared by: Temperature W. E. Acree, Jr. Experimental Values
a b Experimental Values T/K x2 x1 324.35 0.7999 0.2001 340.45 0.6983 0.3017 a b T/K x2 x1 351.85 0.5992 0.4008 283.00 0.9117 0.08832 360.95 0.5014 0.4986 288.00 0.9018 0.09824 365.15 0.4504 0.5496 293.00 0.8909 0.1091 368.75 0.3899 0.6101 298.00 0.8743 0.1257 371.25 0.3502 0.6498 303.20 0.8568 0.1432 373.85 0.2968 0.7032 308.00 0.8416 0.1584 376.35 0.2506 0.7494 313.00 0.8165 0.1835 377.95 0.2024 0.7976 318.00 0.7909 0.2091 380.05 0.1514 0.8486 323.00 0.7654 0.2346 381.65 0.1000 0.9000 ax 383.85 0.0540 0.9460 2: mole fraction of component 2 in the saturated solution. b a x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
The authors employed a SSF to describe the activity coeffi- Auxiliary Information cients of fluorene and squalane calculated from the solid-liquid Method/Apparatus/Procedure: equilibrium data. The SSF model gave a calculated eutectic Double-jacketed glass vessel, laser generator, water bath, photoelectric temperature of T/K ¼ 234.0 and eutectic mole fraction of transformer, digital display. fluorene of x ¼ 0.01. Solubilities were determined by a synthetic-dynamic method. Known masses 1 of solute and solvent were placed in a dissolving flask. The solid in the solution dissolved as the temperature was increased. The temperature at which the last Auxiliary Information amount of solid dissolved was recorded as the solid-liquid equilibrium temperature. The disappearance of the solid solute was determined by laser Method/Apparatus/Procedure: monitoring. Simple thermal analysis device constructed in the authors’ laboratory, and a high precision platinum-resistance thermometer. Source and Purity of Chemicals: Phase diagram was determined using a simple thermal device. A sample of (1) 99+%, Chemical source and purification method were not given. known composition was placed in a thermostatted glass tube, melted and then (2) 99.8+%, Analytical Reagent Grade, Tianjin Kewei Company, China, no slowly cooled at a rate of about 1 K/min. The temperature of the sample was information given regarding any further purification. measured with a high precision platinum-resistance thermometer. The crystallization temperature was obtained from a plot of the cooling curve Estimated Error: versus time. Each measurement was repeated three times. Temperature: 0.2 K. x : within 0.0200 (relative uncertainty). Source and Purity of Chemicals: 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, no purification details were given in the paper. (2) 99%, Aldrich Chemical Company, purification details were not given in the paper. Components: Original Measurements: 51 (1) Fluorene; C13H10; [92-52-4] Y. Han and Z. Wang, J. Chem. Estimated Error: (2) Methylbenzene; C7H8; [108-88-8] Eng. Data 54, 148 (2009). Temperature: Authors state a global accuracy of 1% regarding their Variables: Prepared by: measurements. Temperature W. E. Acree, Jr. x1: 0.0002 (estimated by compiler).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-99
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Thermostated bath, thermometer. T/K x a x b 2 1 Very little experimental details were provided. Solubilities were determined 283.00 0.9370 0.06295 by a synthetic method. Known masses of solute and solvent were placed in a 288.00 0.9191 0.08088 dissolving flask. The solute and solvent mixture was stirred with a magnetic 293.00 0.9033 0.09674 stirrer. Small amounts of solute were added at predetermined intervals until no 298.00 0.8761 0.1239 more solid would dissolve. The point at which no more solid would dissolve 303.20 0.8475 0.1525 was taken to be the point of solid-liquid equilibrium. The paper did not specify 308.00 0.8048 0.1952 how the disappearance of the solid was monitored; however, the papers that the 313.00 0.7503 0.2497 authors referenced for the experimental method used a laser monitoring 318.00 0.7001 0.2999 method. 323.00 0.6304 0.3696 a Source and Purity of Chemicals: x2: mole fraction of component 2 in the saturated solution. b (1) 99.5%, Chemical source and purification method were not given. x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (2) 99.8%, Analytical Reagent Grade, Tianjin Kewei Company, China, no information given regarding any further purification.
Estimated Error: Auxiliary Information Temperature: 0.2 K. x : within 0.0200 (relative uncertainty). Method/Apparatus/Procedure: 1 Double-jacketed glass vessel, laser generator, water bath, photoelectric transformer, digital display. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in a dissolving flask. The solid in the solution 9.4. Fluorene solubility data in esters dissolved as the temperature was increased. The temperature at which the last amount of solid dissolved was recorded as the solid-liquid equilibrium temperature. The disappearance of the solid solute was determined by laser Components: Original Measurements: monitoring. 49 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. (2) 1,2,3-Triacetoxypropane (Triacetin); E. Acree, Jr., and M. H. Abraham, Source and Purity of Chemicals: C H O ; [102-76-1] Polycyclic Aromat. Compd. 25, (1) 99+%, Chemical source and purification method were not given. 9 14 6 313 (2005). (2) 99.8+%, Analytical Reagent Grade, Tianjin Kewei Company, China, no information given regarding any further purification. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Estimated Error: Temperature: 0.2 K. x1: within 0.0200 (relative uncertainty). Experimental Values
(s)a b c x2 x2 x1 Components: Original Measurements: 1.0000 0.9333 0.06667 (1) Fluorene; C H ; [92-52-4] 50Z. Zou, L. Dang, P. Liu, and a (s) 13 10 x2 : initial mole fraction of component 2 in the solution. (2) Methylbenzene; C H ; [108-88-8] H. Wei, J. Chem. Eng. Data b 7 8 x2: mole fraction of component 2 in the saturated solution. 52, 1501 (2007). c x1: mole fraction solubility of the solute. Variables: Prepared by: Temperature W. E. Acree, Jr.
Auxiliary Information Experimental Values Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ a b T/K x2 x1 visible spectrophotometer. 283.27 0.9366 0.06341 Excess solute and solvent were placed in amber glass bottles and allowed to 288.77 0.9181 0.08185 equilibrate for several days at constant temperature. Attainment of equilibrium 293.72 0.8981 0.1019 was verified by several repetitive measurements and by approaching 298.89 0.8705 0.1295 equilibrium from supersaturation. Aliquots of saturated solutions were 303.17 0.8455 0.1545 transferred through a coarse filter into tared volumetric flasks, weighed and 308.81 0.7995 0.2005 diluted with 2-propanol. Concentrations were determined by 313.17 0.7471 0.2521 spectrophotometric measurements at 280 nm. 319.27 0.6923 0.3077 324.95 0.6329 0.3671 Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was ax 2: mole fraction of component 2 in the saturated solution. recrystallized several times from methanol. bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (2) 99%, Acros Organics, USA, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-100 WILLIAM E. ACREE, JR.
Estimated Error: Experimental Values Temperature: 0.1 K. x1: 1.5% (relative error). (s)a b c x2 x2 x1 1.0000 0.9277 0.07226 a (s) x2 : initial mole fraction of component 2 in the solution. 9.5. Fluorene solubility data in ethers b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 49 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. (2) 2,2′-Oxybispropane; C6H14O; E. Acree, Jr., and M. H. Abraham, [108-20-3] Polycyclic Aromat. Compd. 25, Auxiliary Information 313 (2005). Method/Apparatus/Procedure: Variables: Prepared by: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T/K ¼ 298.15 W. E. Acree, Jr. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Experimental Values was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and (s)a b c diluted with 2-propanol. Concentrations were determined by x2 x2 x1 spectrophotometric measurements at 280 nm. 1.0000 0.9468 0.05324 a (s) x2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: bx 2: mole fraction of component 2 in the saturated solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was c x1: mole fraction solubility of the solute. recrystallized several times from methanol. (2) 99.3%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x Method/Apparatus/Procedure: 1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium 9.6. Fluorene solubility data in haloalkanes, was verified by several repetitive measurements and by approaching haloalkenes, and haloaromatic hydrocarbons equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Components: Original Measurements: 51 (1) Fluorene; C13H10; [92-52-4] Y. Han and Z. Wang, J. Chem. Source and Purity of Chemicals: (2) Trichloromethane; CHCl3; [67-66-3] Eng. Data 54, 148 (2009). (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Variables: Prepared by: recrystallized several times from methanol. Temperature W. E. Acree, Jr. (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use. Experimental Values Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). a b T/K x2 x1 283.00 0.9107 0.08928 288.00 0.8984 0.1016 293.00 0.8856 0.1144 Components: Original Measurements: 49 298.00 0.8682 0.1318 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. 303.20 0.8474 0.1526 ′ (2) 1,1 -Oxybisbutane; C8H18O; E. Acree, Jr., and M. H. Abraham, 308.00 0.8269 0.1731 [142-96-1] Polycyclic Aromat. Compd. 25, 313.00 0.8048 0.1952 313 (2005). 318.00 0.7801 0.2199 Variables: Prepared by: 323.00 0.7503 0.2497 T/K ¼ 298.15 W. E. Acree, Jr. a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-101
Auxiliary Information Components: Original Measurements: 48 Method/Apparatus/Procedure: (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and Double-jacketed glass vessel, laser generator, water bath, photoelectric (2) Ethanol; C2H6O; [64-17-5] M. H. Abraham, Phys. Chem. Liq. 40, transformer, digital display. 581 (2002). Solubilities were determined by a synthetic-dynamic method. Known masses Variables: Prepared by: of solute and solvent were placed in a dissolving flask. The solid in the solution T/K ¼ 298.15 W. E. Acree, Jr. dissolved as the temperature was increased. The temperature at which last amount of solid dissolved was recorded as the solid-liquid equilibrium temperature. The disappearance of the solid solute was determined by laser Experimental Values monitoring.
Source and Purity of Chemicals: x (s) x x (1) 99+%, Chemical source and purification method were not given. 2 2 1 (2) 99.8+%, Analytical Reagent Grade, Tianjin Kewei Company, China, no 1.0000 0.9926 0.00743 a (s) information given regarding any further purification. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.2 K. x1: within 0.0200 (relative uncertainty).
Auxiliary Information 9.7. Fluorene solubility data in alcohols Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium (1) Fluorene; C H ; [92-52-4] 48C. I. Monárrez, W. E. Acree, 13 10 was verified by several repetitive measurements and by approaching (2) Methanol; CH O; [67-56-1] Jr., and M. H. Abraham, Phys. 4 equilibrium from supersaturation. Aliquots of saturated solutions were Chem. Liq. 40, 581 (2002). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with 2-propanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) Absolute, Aaper Alcohol and Chemical Company, USA, stored over (s) x2 x2 x1 molecular sieves before use. 1.0000 0.9955 0.00449 Estimated Error: ax (s) 2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x : 1.5% (relative error). c 1 x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 50 Method/Apparatus/Procedure: (1) Fluorene; C13H10; [92-52-4] Z. Zou, L. Dang, P. Liu, and H. Wei, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Ethanol; C2H6O; [64-17-5] J. Chem. Eng. Data 52, 1501 (2007). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to Temperature W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-102 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T/K x a x b 2 1 visible spectrophotometer. 278.98 0.9963 0.00372 Excess solute and solvent were placed in amber glass bottles and allowed to 283.99 0.9954 0.00455 equilibrate for several days at constant temperature. Attainment of equilibrium 289.01 0.9945 0.00554 was verified by several repetitive measurements and by approaching 294.08 0.9933 0.00668 equilibrium from supersaturation. Aliquots of saturated solutions were 298.35 0.9920 0.00802 transferred through a coarse filter into tared volumetric flasks, weighed and 303.36 0.9903 0.00973 diluted with 2-propanol. Concentrations were determined by 308.77 0.9881 0.01185 spectrophotometric measurements at 280 nm. 313.17 0.9861 0.01387 319.27 0.9823 0.01766 Source and Purity of Chemicals: 324.95 0.9784 0.02161 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a recrystallized several times from methanol. x2: mole fraction of component 2 in the saturated solution. b (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). sieves before use.
Estimated Error: Temperature: 0.1 K.
Auxiliary Information x1: 1.5% (relative error). Method/Apparatus/Procedure: Thermostated bath, thermometer. Very little experimental details were provided. Solubilities were determined by a synthetic method. Known masses of solute and solvent were placed in a Components: Original Measurements: 51 dissolving flask. The solute and solvent mixture was stirred with a magnetic (1) Fluorene; C13H10; [92-52-4] Y. Han and Z. Wang, J. Chem. Eng. stirrer. Small amounts of solute were added at predetermined intervals until no (2) 1-Propanol; C3H8O; [71-23-8] Data 54, 148 (2009). more solid would dissolve. The point at which no more solid would dissolve Variables: Prepared by: was taken to be the point of solid-liquid equilibrium. The paper did not specify Temperature W. E. Acree, Jr. how the disappearance of the solid was monitored; however, the papers that the authors referenced for the experimental method used a laser monitoring method. Experimental Values
Source and Purity of Chemicals: (1) 99.5%, Chemical source and purification method were not given. a b T/K x2 x1 (2) 99.8%, Analytical Reagent Grade, Tianjin Kewei Company, China, no information given regarding any further purification. 283.00 0.9918 0.00817 288.00 0.9910 0.00903 Estimated Error: 293.00 0.9985 0.01154 Temperature: 0.2 K. 298.40 0.9866 0.01339 302.20 0.9837 0.01631 x1: within 0.0200 (relative uncertainty). 308.00 0.9812 0.01882 313.00 0.9785 0.02151 318.00 0.9752 0.02483 323.00 0.9711 0.02890 Components: Original Measurements: a 48 x2: mole fraction of component 2 in the saturated solution. (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (2) 1-Propanol; C3H8O; [71-23-8] M. H. Abraham, Phys. Chem. Liq. 40, 581 (2002). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Auxiliary Information Method/Apparatus/Procedure: Experimental Values Double-jacketed glass vessel, laser generator, water bath, photoelectric transformer, and digital display. Solubilities were determined by a synthetic-dynamic method. Known masses x (s)a x b x c 2 2 1 of solute and solvent were placed in a dissolving flask. The solid in the solution 1.0000 0.9877 0.01232 dissolved as the temperature was increased. The temperature at which last a (s) amount of solid dissolved was recorded as the solid-liquid equilibrium x2 : initial mole fraction of component 2 in the solution. b temperature. The disappearance of the solid solute was determined by laser x2: mole fraction of component 2 in the saturated solution. c monitoring. x1: mole fraction solubility of the solute.
Source and Purity of Chemicals: (1) 99+%, Chemical source and purification method were not given. (2) 99.8+%, Analytical Reagent Grade, Tianjin Kewei Company, China, no information given regarding any further purification.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-103
Estimated Error: T x a x b Temperature: 0.2 K. /K 2 1 x1: within 0.0200 (relative uncertainty). 313.78 0.9895 0.01047 318.24 0.9864 0.01355 323.17 0.9821 0.01787 328.25 0.9763 0.02368 Components: Original Measurements: 333.45 0.9686 0.03136 48 ax (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and 2: mole fraction of component 2 in the saturated solution. bx (2) 2-Propanol; C3H8O; [67-63-0] M. H. Abraham, Phys. Chem. Liq. 40, 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 581 (2002). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Auxiliary Information
Experimental Values Method/Apparatus/Procedure: Thermostated bath, thermometer. Very little experimental details were provided. Solubilities were determined (s)a b c by a synthetic method. Known masses of solute and solvent were placed in a x2 x2 x1 dissolving flask. The solute and solvent mixture was stirred with a magnetic 1.0000 0.9905 0.00949 stirrer. Small amounts of solute were added at predetermined intervals until no ax (s) 2 : initial mole fraction of component 2 in the solution. more solid would dissolve. The point at which no more solid would dissolve bx 2: mole fraction of component 2 in the saturated solution. was taken to be the point of solid-liquid equilibrium. The paper did not specify cx 1: mole fraction solubility of the solute. how the disappearance of the solid was monitored; however, the papers that the authors referenced for the experimental method used a laser monitoring method.
Source and Purity of Chemicals: Auxiliary Information (1) 99.5%, Chemical source and purification method were not given. Method/Apparatus/Procedure: (2) 99.8%, Analytical Reagent Grade, Tianjin Kewei Company, China, no Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ information given regarding any further purification. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Estimated Error: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature: 0.2 K. x was verified by several repetitive measurements and by approaching 1: within 0.0200. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Components: Original Measurements: 48 (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and Source and Purity of Chemicals: (2) 1-Butanol; C4H10O; [71-36-3] M. H. Abraham, Phys. Chem. Liq. 40, (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 581 (2002). recrystallized several times from methanol. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular Variables: Prepared by: T ¼ sieves before use. /K 298.15 W. E. Acree, Jr.
Estimated Error: Temperature: 0.1 K. Experimental Values x1: 1.5% (relative error).
(s)a b c x2 x2 x1 1.0000 0.9831 0.01686 a (s) Components: Original Measurements: x2 : initial mole fraction of component 2 in the solution. 50 bx (1) Fluorene; C13H10; [92-52-4] Z. Zou, L. Dang, P. Liu, and H. Wei, 2: mole fraction of component 2 in the saturated solution. c (2) 2-Propanol; C3H8O; [67-63-0] J. Chem. Eng. Data 52, 1501 (2007). x1: mole fraction solubility of the solute. Variables: Prepared by: Temperature W. E. Acree, Jr.
Experimental Values
a b T/K x2 x1 288.28 0.9978 0.00221 293.69 0.9969 0.00313 299.50 0.9955 0.00453 303.17 0.9943 0.00565 309.06 0.9918 0.00820
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-104 WILLIAM E. ACREE, JR.
Auxiliary Information Source and Purity of Chemicals: (1) 99.5%, Chemical source and purification method were not given. / / Method Apparatus Procedure: (2) 99.8%, Analytical Reagent Grade, Tianjin Kewei Company, China, no Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ information given regarding any further purification. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Estimated Error: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature: 0.2 K. was verified by several repetitive measurements and by approaching x1: within 0.0200. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Components: Original Measurements: 48 Source and Purity of Chemicals: (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (2) 2-Butanol; C4H10O; [78-92-2] M. H. Abraham, Phys. Chem. Liq. 40, recrystallized several times from methanol. 581 (2002). (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular Variables: Prepared by: sieves before use. T/K ¼ 298.15 W. E. Acree, Jr.
Estimated Error: Temperature: 0.1 K. Experimental Values x1: 1.5% (relative error).
(s)a b c x2 x2 x1 1.0000 0.9879 0.01206 Components: Original Measurements: ax (s) 50 2 : initial mole fraction of component 2 in the solution. (1) Fluorene; C13H10; [92-52-4] Z. Zou, L. Dang, P. Liu, and H. Wei, b x2: mole fraction of component 2 in the saturated solution. (2) 1-Butanol; C4H10O; [71-36-3] J. Chem. Eng. Data 52, 1501 (2007). c x1: mole fraction solubility of the solute. Variables: Prepared by: Temperature W. E. Acree, Jr.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T x a x b /K 2 1 visible spectrophotometer. 284.27 0.9941 0.00590 Excess solute and solvent were placed in amber glass bottles and allowed to 288.82 0.9928 0.00724 equilibrate for several days at constant temperature. Attainment of equilibrium 293.76 0.9909 0.00906 was verified by several repetitive measurements and by approaching 298.88 0.9887 0.01130 equilibrium from supersaturation. Aliquots of saturated solutions were 304.06 0.9861 0.01390 transferred through a coarse filter into tared volumetric flasks, weighed and 308.28 0.9832 0.01679 diluted with 2-propanol. Concentrations were determined by 313.93 0.9788 0.02122 spectrophotometric measurements at 280 nm. 318.16 0.9749 0.02510 323.16 0.9696 0.03038 Source and Purity of Chemicals: 328.25 0.9630 0.03703 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 333.35 0.9542 0.04578 recrystallized several times from methanol. 338.35 0.9442 0.05584 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular a sieves before use. x2: mole fraction of component 2 in the saturated solution. bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Thermostated bath, thermometer. Components: Original Measurements: 48 Very little experimental details were provided. Solubilities were determined (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and by a synthetic method. Known masses of solute and solvent were placed in a (2) 2-Methyl-1-propanol; C4H10O; M. H. Abraham, Phys. Chem. Liq. 40, dissolving flask. The solute and solvent mixture was stirred with a magnetic [78-83-1] 581 (2002). stirrer. Small amounts of solute were added at predetermined intervals until no Variables: Prepared by: more solid would dissolve. The point at which no more solid would dissolve T/K ¼ 298.15 W. E. Acree, Jr. was taken to be the point of solid-liquid equilibrium. The paper did not specify how the disappearance of the solid was monitored; however, the papers that the authors referenced for the experimental method used a laser monitoring method.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-105
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Double-jacketed glass vessel, laser generator, water bath, photoelectric x (s)a x b x c 2 2 1 transformer, digital display. 1.0000 0.9899 0.01006 Solubilities were determined by a synthetic-dynamic method. Known masses a (s) of solute and solvent were placed in a dissolving flask. The solid in the solution x2 : initial mole fraction of component 2 in the solution. b dissolved as the temperature was increased. The temperature at which last x2: mole fraction of component 2 in the saturated solution. c amount of solid dissolved was recorded as the solid-liquid equilibrium x1: mole fraction solubility of the solute. temperature. The disappearance of the solid solute was determined by laser monitoring.
Source and Purity of Chemicals: Auxiliary Information (1) 99+%, Chemical source and purification method were not given. (2) 99.8+%, Analytical Reagent Grade, Tianjin Kewei Company, China, no Method/Apparatus/Procedure: information given regarding any further purification. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Estimated Error: Excess solute and solvent were placed in amber glass bottles and allowed to Temperature: 0.2 K. equilibrate for several days at constant temperature. Attainment of equilibrium x : within 0.0200 (relative uncertainty). was verified by several repetitive measurements and by approaching 1 equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Components: Original Measurements: 48 (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., Source and Purity of Chemicals: (2) 2-Methyl-2-propanol; C4H10O; and M. H. Abraham, Phys. Chem. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was [75-65-0] Liq. 40, 581 (2002). recrystallized several times from methanol. Variables: Prepared by: (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular T/K ¼ 298.15 W. E. Acree, Jr. sieves before use.
Estimated Error: Experimental Values Temperature: 0.1 K. x1: 1.5% (relative error). (s)a b c x2 x2 x1 1.0000 0.9898 0.01016 a (s) x2 : initial mole fraction of component 2 in the solution. Components: Original Measurements: b 51 x2: mole fraction of component 2 in the saturated solution. (1) Fluorene; C13H10; [92-52-4] Y. Han and Z. Wang, J. Chem. c x1: mole fraction solubility of the solute. (2) 2-Methyl-1-propanol; C4H10O; Eng. Data 54, 148 (2009). [78-83-1] Variables: Prepared by: Temperature W. E. Acree, Jr. Auxiliary Information Method/Apparatus/Procedure: Experimental Values Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to T/K x a x b 2 1 equilibrate for several days at constant temperature. Attainment of equilibrium 283.00 0.9957 0.00425 was verified by several repetitive measurements and by approaching 288.00 0.9946 0.00544 equilibrium from supersaturation. Aliquots of saturated solutions were 293.00 0.9931 0.00691 transferred through a coarse filter into tared volumetric flasks, weighed and 298.40 0.9910 0.00902 diluted with 2-propanol. Concentrations were determined by 303.20 0.9879 0.01212 spectrophotometric measurements at 280 nm. 308.00 0.9844 0.01563 313.00 0.9808 0.01924 Source and Purity of Chemicals: 318.00 0.9770 0.02296 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 323.00 0.9733 0.02668 recrystallized several times from methanol. a (2) 99.5+%, anhydrous, Aldrich Chemical Company, stored over molecular x2: mole fraction of component 2 in the saturated solution. b sieves before use. x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-106 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 48 (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Method/Apparatus/Procedure: (2) 1-Pentanol; C5H12O; [71-41-0] Jr., and M. H. Abraham, Phys. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Chem. Liq. 40, 581 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9771 0.02290 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 49 visible spectrophotometer. (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Methyl-1-butanol; C5H12O; E. Acree, Jr., and M. H. Abraham, equilibrate for several days at constant temperature. Attainment of equilibrium [137-32-6] Polycyclic Aromat. Compd. 25, was verified by several repetitive measurements and by approaching 313 (2005). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before 2 2 1 use. 1.0000 0.9816 0.01842 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Fluorene; C H ; [92-52-4] 48C. I. Monárrez, W. E. Acree, 13 10 visible spectrophotometer. (2) 2-Pentanol; C H O; [6032-29-7] Jr., and M. H. Abraham, Phys. 5 12 Excess solute and solvent were placed in amber glass bottles and allowed to Chem. Liq. 40, 581 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9837 0.01634 recrystallized several times from methanol. a (s) (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2 : initial mole fraction of component 2 in the solution. b use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-107
Auxiliary Information Components: Original Measurements: 48 (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and Method/Apparatus/Procedure: (2) 3-Methyl-1-butanol; C5H12O; M. H. Abraham, Phys. Chem. Liq. 40, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [123-51-3] 581 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9854 0.01461 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 48 visible spectrophotometer. (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Hexanol; C6H14O; [111-27-3] Jr., and M. H. Abraham, Phys. equilibrate for several days at constant temperature. Attainment of equilibrium Chem. Liq. 40, 581 (2002). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9724 0.02757 a (s) sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 48 (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-2-butanol; C5H12O; M. H. Abraham, Phys. Chem. Liq. 40, visible spectrophotometer. [75-85-4] 581 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9815 0.01854 recrystallized several times from methanol. a (s) x2 : initial mole fraction of component 2 in the solution. (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-108 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 48 (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and Method/Apparatus/Procedure: (2) 2-Methyl-1-pentanol; C6H14O; M. H. Abraham, Phys. Chem. Liq. 40, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [105-30-6] 581 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9803 0.01973 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 48 visible spectrophotometer. (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Heptanol; C7H16O; [111-70-6] and M. H. Abraham, Phys. Chem. equilibrate for several days at constant temperature. Attainment of equilibrium Liq. 40, 581 (2002). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 1.0000 0.9650 0.03503 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: 48 (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., and Method/Apparatus/Procedure: (2) 4-Methyl-2-pentanol; C6H14O; M. H. Abraham, Phys. Chem. Liq. 40, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [108-11-2] 581 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9832 0.01676 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
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Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-109
Auxiliary Information Components: Original Measurements: 48 (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) 1-Octanol; C8H18O; [111-87-5] and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Liq. 40, 581 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9612 0.03884 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before c x1: mole fraction solubility of the solute. use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 48 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Fluorene; C13H10; [92-52-4] C. I. Monárrez, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1-Decanol; C10H22O; [112-30-1] and M. H. Abraham, Phys. Chem. was verified by several repetitive measurements and by approaching Liq. 40, 581 (2002). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 2 2 1 sieves before use. 1.0000 0.9533 0.04669 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Fluorene; C H ; [92-52-4] 48C. I. Monárrez, W. E. Acree, Jr., 13 10 visible spectrophotometer. (2) 2-Ethyl-1-hexanol; C H O; and M. H. Abraham, Phys. Chem. 8 18 Excess solute and solvent were placed in amber glass bottles and allowed to [104-76-7] Liq. 40, 581 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9721 0.02794 recrystallized several times from methanol. a (s) (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. 2 Estimated Error: cx : mole fraction solubility of the solute. 1 Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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9.8. Fluorene solubility data in ketones Experimental Values
(s)a b c x2 x2 x1 Components: Original Measurements: 51 1.0000 0.9418 0.05815 (1) Fluorene; C13H10; [92-52-4] Y. Han and Z. Wang, J. Chem. a (s) (2) Propanone; C3H6O; [67-64-1] Eng. Data 54, 148 (2009). x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Variables: Prepared by: 2 cx : mole fraction solubility of the solute. Temperature W. E. Acree, Jr. 1
Experimental Values Auxiliary Information
a b Method/Apparatus/Procedure: T/K x2 x1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 283.00 0.9555 0.04448 visible spectrophotometer. 288.00 0.9510 0.04896 Excess solute and solvent were placed in amber glass bottles and allowed to 293.00 0.9442 0.05577 equilibrate for several days at constant temperature. Attainment of equilibrium 298.00 0.9313 0.06872 was verified by several repetitive measurements and by approaching 303.10 0.9207 0.07931 equilibrium from supersaturation. Aliquots of saturated solutions were 308.20 0.9093 0.09074 transferred through a coarse filter into tared volumetric flasks, weighed and 313.00 0.8962 0.1038 diluted with 2-propanol. Concentrations were determined by 318.00 0.8802 0.1198 spectrophotometric measurements at 280 nm. 323.00 0.8602 0.1398 ax 2: mole fraction of component 2 in the saturated solution. Source and Purity of Chemicals: bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x Method/Apparatus/Procedure: 1: 1.5% (relative error). Double-jacketed glass vessel, laser generator, water bath, photoelectric transformer, and digital display. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in a dissolving flask. The solid in the solution Components: Original Measurements: dissolved as the temperature was increased. The temperature at which last 49 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. amount of solid dissolved was recorded as the solid-liquid equilibrium (2) Butanenitrile; C4H7N; [109-74-0] E. Acree, Jr., and M. H. Abraham, temperature. The disappearance of the solid solute was determined by laser Polycyclic Aromat. Compd. 25, monitoring. 313 (2005).
Source and Purity of Chemicals: Variables: Prepared by: T ¼ (1) 99+%, Chemical source and purification method were not given. /K 298.15 W. E. Acree, Jr. (2) 99.8+%, Analytical Reagent Grade, Tianjin Kewei Company, China, no information given regarding any further purification. Experimental Values Estimated Error: Temperature: 0.2 K. x (s)a x b x c x1: within 0.0200 (relative uncertainty). 2 2 1 1.0000 0.9145 0.08548 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. cx 9.9. Fluorene solubility data in miscellaneous 1: mole fraction solubility of the solute. organic solvents
Components: Original Measurements: 49 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. (2) Propanenitrile; C3H5N; [107-12-0] E. Acree, Jr., and M. H. Abraham, Polycyclic Aromat. Compd. 25, 313 (2005). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
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Auxiliary Information Components: Original Measurements: 35 Method/Apparatus/Procedure: (1) Fluorene; C13H10; [92-52-4] Z. Lisicki and M. E. Jamro´z, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) N,N-Dimethylacetamide; C4H9NO; J. Chem. Thermodyn. 32, visible spectrophotometer. [127-19-5] 1335 (2000). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 280 nm. T/K x a x b Source and Purity of Chemicals: 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 253.2 1.0000 0.0000 recrystallized several times from methanol. 252.9 0.9898 0.0102 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before 252.3 0.9792 0.0208 use. 251.6 0.9698 0.0302 250.7 0.9599 0.0401 Estimated Error: 254.0 0.9500 0.0500 Temperature: 0.1 K. 272.7 0.9180 0.0820 285.7 0.8913 0.1087 x1: 1.5% (relative error). 304.8 0.8298 0.1702 314.7 0.7839 0.2161 332.7 0.6739 0.3261 342.8 0.5938 0.4062 Components: Original Measurements: 49 353.8 0.4822 0.5178 (1) Fluorene; C13H10; [92-52-4] D. M. Stovall, K. R. Hoover, W. 360.1 0.4158 0.5842 (2) Hexanedinitrile; C6H8N2; E. Acree, Jr., and M. H. Abraham, 371.6 0.2972 0.7028 [111-69-3] Polycyclic Aromat. Compd. 25, 375.5 0.2133 0.7867 313 (2005). 379.9 0.1459 0.8541 Variables: Prepared by: 385.1 0.0481 0.9519 T/K ¼ 298.15 W. E. Acree, Jr. 387.7 0.0000 1.0000 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Experimental Values x (s)a x b x c The authors reported that the binary system exhibits simple 2 2 1 T ¼ 1.0000 0.9541 0.04589 eutectic behavior, with a eutectic temperature of /K 250.1 x ¼ a (s) and eutectic composition of 1 0.046. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Auxiliary Information Method/Apparatus/Procedure: Temperature-controlled heating/cooling system and a shaking-mixing system. Auxiliary Information Synthetic mixtures of known compositions were weighed in small glass Method/Apparatus/Procedure: ampoules. The mixture composition was known to within 0.0002 mole Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ fraction. Ampoules were cooled to very low temperatures of about 220 K, visible spectrophotometer. pumped down, and sealed. The sealed mixtures were then melted, cooled rapidly, and reheated. The rate of reheating was at an approximate rate of 8 Excess solute and solvent were placed in amber glass bottles and allowed to 5 equilibrate for several days at constant temperature. Attainment of equilibrium 10 K/s just before complete dissolution. The temperature at which the solid was verified by several repetitive measurements and by approaching completely dissolved was recorded. The average of two or three independent equilibrium from supersaturation. Aliquots of saturated solutions were measurements was taken as the solid-liquid equilibrium. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Source and Purity of Chemicals: spectrophotometric measurements at 280 nm. (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized twice from ethanol in the presence of activated carbon, and then recrystallized Source and Purity of Chemicals: from methylbenzene. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (2) Purest grade, Merck-Schuchardt, was distilled under reduced pressure and recrystallized several times from methanol. dried over molecular sieves to produce a sample of 99.9% purity (mass (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. percent).
Estimated Error: Estimated Error: Temperature: 0.1 K. Temperature: 0.2 K (estimated by compiler). x1: 0.0002. x1: 1.5% (relative error).
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Estimated Error: Components: Original Measurements: 35 Temperature: 0.2 K (estimated by compiler). (1) Fluorene; C13H10; [92-52-4] Z. Lisicki and M. E. Jamro´z, x1: 0.0002. (2) 1-Methyl-2-pyrrolidone; C5H9NO; J. Chem. Thermodyn. 32, [872-50-4] 1335 (2000). Variables: Prepared by: Temperature W. E. Acree, Jr. Components: Original Measurements: 35 (1) Fluorene; C13H10; [92-52-4] Z. Lisicki and M. E. Jamro´z, (2) Hexahydro-1-methyl-2H-azepin-2-one J. Chem. Thermodyn. 32, Experimental Values (N-Methyl-ε-caprolactam); C7H13NO; 1335 (2000). [2556-73-2]
a b Variables: Prepared by: T/K x2 x1 Temperature W. E. Acree, Jr. 248.5 1.0000 0.0000 247.7 0.9781 0.0219 246.8 0.9503 0.0497 Experimental Values 246.0 0.9338 0.0662 245.6 0.9241 0.0759 a b 249.1 0.9139 0.0861 T/K x2 x1 262.0 0.8933 0.1067 279.6 1.0000 0.0000 274.4 0.8724 0.1276 304.3 0.8049 0.1951 283.0 0.8509 0.1491 315.7 0.7463 0.2537 293.7 0.8201 0.1799 324.3 0.6988 0.3012 295.4 0.8139 0.1861 332.3 0.6499 0.3501 303.7 0.7845 0.2155 339.2 0.5970 0.4030 322.6 0.6936 0.3064 347.5 0.5290 0.4710 339.0 0.5885 0.4115 352.0 0.4911 0.5089 351.7 0.4840 0.5160 356.3 0.4508 0.5492 356.3 0.4398 0.5602 361.3 0.4004 0.5996 358.8 0.4130 0.5870 365.9 0.3480 0.6520 363.3 0.3602 0.6398 370.1 0.2964 0.7036 366.2 0.3263 0.6737 377.7 0.1978 0.8022 374.1 0.2295 0.7705 383.5 0.0999 0.9001 374.7 0.2216 0.7784 387.7 0.0000 1.0000 383.8 0.0793 0.9207 ax 384.9 0.0624 0.9376 2: mole fraction of component 2 in the saturated solution. bx 387.7 0.0000 1.0000 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Auxiliary Information The authors reported that the binary system exhibits simple Method/Apparatus/Procedure: eutectic behavior, with a eutectic temperature of T/K ¼ 245.3 Temperature-controlled heating/cooling system and a shaking-mixing system. and eutectic composition of x1 ¼ 0.082. Synthetic mixtures of known compositions were weighed in small glass ampoules. The mixture composition was known to within 0.0002 mole fraction. Ampoules were cooled to very low temperatures of about 220 K, Auxiliary Information pumped down, and sealed. The sealed mixtures were then melted, cooled Method/Apparatus/Procedure: rapidly, and reheated. The rate of reheating was at an approximate rate of 5 Temperature-controlled heating/cooling system and a shaking-mixing system. 8 10 K/s just before complete dissolution. The temperature at which the Synthetic mixtures of known compositions were weighed in small glass solid completely dissolved was recorded. The average of two or three ampoules. The mixture composition was known to within 0.0002 mole independent measurements was taken as the solid-liquid equilibrium. fraction. Ampoules were cooled to very low temperatures of about 220 K, pumped down, and sealed. The sealed mixtures were then melted, cooled Source and Purity of Chemicals: rapidly, and reheated. The rate of reheating was at an approximate rate of (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized 8 10 5 K/s just before complete dissolution. The temperature at which the twice from ethanol in the presence of activated carbon, and then recrystallized solid completely dissolved was recorded. The average of two or three from methylbenzene. independent measurements was taken as the solid-liquid equilibrium. (2) Technical Grade, Leuna Werke, Federal Republic of Germany, was purified by super-rectification and then dried over molecular sieves to give a Source and Purity of Chemicals: sample having a purity of 99.9% by mass. (1) 98%, Merck-Schuchardt, Federal Republic of Germany, was recrystallized twice from ethanol in the presence of activated carbon, and then recrystallized Estimated Error: from methylbenzene. Temperature: 0.2 K (estimated by compiler). x (2) Technical Grade, BASF, Federal Republic of Germany, was purified by 1: 0.0002. treatment with a 2% solution of potassium permanganate, and then distilled under reduced pressure to collect the distillate having 99.8% purity (mass percent). The purified sample was dried over molecular sieves.
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10. Solubility of Naphthalene in Organic There have been several studies that reported solubility data Solvents for naphthalene in organic solvents after Vol. 59 was published in 1995. Numerous research groups have studied the solubility 10.1. Critical evaluation of experimental behavior of naphthalene as a function of temperature. Cui solubility data et al.52 examined the solubility of naphthalene in heptanes, methylbenzene, ethanol, 1-butanol, propanone, and in a mix- Volume 59 in the IUPAC Solubility Data Series3 contained ture of dimethylbenzene isomers (13.3% 1,2-dimethylben- experimental solubility data for naphthalene dissolved in five zene, 66.4% 1,3-dimethylbenzene, and 20.3% 1,4- linear alkanes (hexane, heptane, octane, hexadecane, and dimethylbenzene) using a dynamic method with laser detec- octadecane) and eight cycloalkanes (cyclohexane, methylcy- tion system. Plots of naphthalene mole fraction solubilities clohexane, cis-1,2-dimethyl-cyclohexane, trans-1,2- versus temperature given in the paper fell on smooth curves. dimethylcyclohexane, cis-1,3-dimethylcyclohexane, cis-1,4- As part of the study the authors determined curve-fit equation dimethylcylcohexane, trans-1,4-dimethylcyclohexane, and coefficients for mathematical describing the measured mole decahydronaphthalene), in five aromatic hydrocarbons (ben- fraction solubilities with the Apelblat (see Eq. (3)) and zene, methylbenzene, ethylbenzene, 1,2,3,4-tetrahydro- Buchowski λh (see Eq. (4)) models. The calculated equation naphthalene, and 4-isopropyl-1-methylbenzene), in five coefficients are given in Tables 4 and 5, respectively. Average esters (furfuryl acetate, methyl 2-furoate, ethyl 2-furoate, deviations between the experimental data and calculated propyl 2-furoate, and butyl 2-furoate), in four dialkyl ethers values based on the Apelblat and Buchowski λh models were (1,1′-oxybisethane, 1,1′-oxybisbutane, 1-ethoxypropane, and on the order of 4.6% and 8.1%, respectively. Li et al.53 studied 2-ethoxypropane), and three cyclic ethers (2,2-dimethyloxe- the solubility of naphthalene in ethyl ethanoate, 2-methylpro- tane, 3,3-dimethyloxetane, and tetrahydrofuran), in eight halo- pyl ethanoate, tetrahydrofuran, butanoic acid, N,N-dimethyl- genated alkanes (dichloromethane, trichloromethane, formamide, and 2-methyl-2-pyrrolidone between 278 and tetrachloromethane, diiodomethane, 1,1-dibromoethane, 328 K. The calculated coefficients for the Apelblat mathema- 1,2-dibromoethane, 1,1-dichloroethane, 1,2-dichloroethane), tical representation are given in Table 4. The six datasets are one chloroalkene (trichloroethene) and two halogenated ben- judged to be internally consistent, with mean relative devia- zenes (chlorobenzene and hexafluorobenzene), in 14 alkanols tions between the observed data and values calculated based on (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2- Apelblat model being less than 7.5%. Both research groups butanol, 2-methyl-1-propanol, 2-methyl-2-propanol, 1-penta- studied the solubility of naphthalene in propanone. There is nol, 1-hexanol, 1-octanol, cyclohexanol, methylcyclohexanol, less than a 5% difference between the two datasets. and furfuryl alcohol), in one alkanone (propanone) and in Kotula and Marciniak13 published solubility data for seven miscellaneous organic solvents (carbon disulfide, nitro- naphthalene in four chlorinated alkanes (trichloromethane, benzene, aniline, thiophene, pyridine, perfluorodibutyl ether, tetrachloromethane, 1,1-dichloroethane, and 1,2-dichlor- and perfluorotripropylamine). The volume also included phase oethane) and two chlorinated alkenes (trichloroethene and diagram information for binary naphthalene + benzene, tetrachloroethene) from 290 to 325 K. The internal consistency naphthalene + methylbenzene, naphthalene + ethylbenzene, of the chloroalkane and chloroalkene datasets of measured naphthalene + 1,2-dimethylbenzene, naphthalene + 1,3- acenaphthene solubilities were assessed by curve-fitting the dimethylbenzene, naphthalene + 1,4-dimethylbenzene, measured the mole fraction solubility data to Eq. (3). The naphthalene + biphenyl, naphthalene + 1,2-diphenylethane, numerical values of the equation coefficients (A, B, and C) are naphthalene + indene, naphthalene + fluoranthene, naphtha- given in Table 4 along with the respective mean relative lene + fluorene, naphthalene + chrysene, naphthalene + pyrene deviations. Examination of the numerical entries in the last and naphthalene + acenaphthene, naphthalene + 1,4-dichlor- column of the table reveals that the Apelblat equation provides obenzene, naphthalene + octafluoronaphthalene, naphthalene a very good description of the solubility behavior in the four + 1,2-benzenediol, naphthalene + 1,3-benzenediol, naphtha- chloroalkane and two chloroalkene solvents with the average lene + 1,4-benzenediol, naphthalene + 2-nitrobenzaldehyde, mean relative deviations being on the order of 0.4% or less. naphthalene + 3-nitrobenzaldehyde, naphthalene + 4-nitro- Published studies15,39,42,54–58 have also included phase benzaldehyde, naphthalene + 1-chloro-3-nitrobenzene, diagrams for binary naphthalene mixtures containing a variety naphthalene + 1-chloro-4-nitrobenzene, naphthalene + 2,4- of different organic compounds, including saturated hydro- dinitroaniline, naphthalene + 3,5-dinitrobenzoic acid, carbons (eicosane, pentacosane, octacosane, trans-decahydro- naphthalene + 1,3,5-trimethyl-2,4,6-trinitrobenzene, naphtha- naphthalene, and cis-decahydronaphthalene), polycyclic lene + 4-nitro-1-methylbenzene, naphthalene + 1,3-dinitro- aromatic hydrocarbons (biphenyl and phenanthrene) and benzene, naphthalene + 1,3,5-trinitrobenzene, naphthalene chlorinated benzenes (1,2-dichlorobenzene, 1,3-dichloroben- + 2-nitrophenol, naphthalene + 4-nitrophenol, naphthalene zene, and 1,4-dichlorobenzene). Phase diagrams and discus- + 2,4-dinitro-1-methylbenzene, naphthalene + 2,4-dinitrophe- sions given in the papers did not suggest any inconsistencies in nol, naphthalene + 2,4,6-trinitrophenol, and naphthalene + the individual datasets. isoquinoline. Solubility data contained in Vol. 59 will not be The experimental solubility data for naphthalene republished here. The listing above is provided so that readers dissolved in the different organic solvents are given in will know what solubility data are available in the earlier Secs. 10.2–10.9. volume for naphthalene.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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TABLE 4. Parameters of the Apelblat equation for describing the solubility of naphthalene in various organic solvents Solvent ABCMRD (%) Heptanea 127.81 195.1 20.824 Methylbenzenea 69.291 1194.7 11.240 Dimethylbenzene mixturea 11.758 1499.4 2.7243 Ethanola 112.31 1481.7 19.833 1-Butanola 87.689 2104.5 15.999 Propanonea 55.641 19.068 9.488 Ethyl ethanoateb 188.03 6434.2 28.986 4.4 2-Methylpropyl ethanoateb 76.770 1509.3 12.373 2.5 Propanoneb 40.240 587.3 7.152 7.4 Tetrahydrofuranb 2.900 1600.7 0.252 6.9 Butanoic acidb 150.15 4199.0 23.552 2.3 N,N-Dimethylformamideb 52.982 341.7 8.873 4.4 1-Methyl-2-pyrrolidoneb 97.615 2991.6 15.198 4.9 Trichloromethane 48.913 4126.1 6.357 0.2 Tetrachloromethane 41.257 4126.2 5.049 0.2 1,1-Dichloroethane 47.077 4126.1 6.043 0.3 1,2-Dichloroethane 48.773 4126.1 6.333 0.3 Trichloroethene 44.512 4126.1 5.604 0.4 Tetrachloroethene 37.017 4126.3 4.325 0.2 aNumerical values of the coefficients were taken from Cui et al.52 bNumerical values of the coefficients were taken from Li et al.53
10.2. Naphthalene solubility data in saturated a b T/K x2 x1 hydrocarbons (including cycloalkanes) 314.13 0.8502 0.1498 315.15 0.8417 0.1583 316.63 0.8318 0.1682 Components: Original Measurements: 317.65 0.8230 0.1770 52 (1) Naphthalene; C10H8; [91-20-3] T.-B. Cui, T.-L. Luo, C. Zhang, 321.33 0.7910 0.2090 (2) Heptane; C7H16; [142-82-5] Z.-B. Mao, and G.-J. Liu, J. Chem. 324.25 0.7698 0.2302 Eng. Data 54, 1065 (2009). 326.98 0.7354 0.2646 329.45 0.6956 0.3044 Variables: Prepared by: 330.26 0.6706 0.3294 Temperature W. E. Acree, Jr. 331.50 0.6495 0.3505 333.75 0.6110 0.3890 ax Experimental Values 2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
a b T/K x2 x1 290.25 0.9405 0.05948 Auxiliary Information 294.30 0.9295 0.07054 Method/Apparatus/Procedure: 297.85 0.9202 0.07982 Double-jacketed glass vessel, laser generator, water bath, photoelectric 301.37 0.9111 0.08893 transformer, and digital display. 303.04 0.9022 0.09778 Solubilities were determined by a synthetic-dynamic method. Known masses 305.30 0.8934 0.1066 of solute and solvent were placed in a dissolving flask. The solid in the solution 307.53 0.8850 0.1150 dissolved as the temperature was increased. The temperature at which the last 309.63 0.8766 0.1234 amount of solid dissolved was recorded as the solid-liquid equilibrium 311.20 0.8674 0.1326 temperature. The disappearance of the solid solute was determined by laser 312.60 0.8588 0.1412 monitoring.
Source and Purity of Chemicals: TABLE 5. Parameters of the Buchowski λh equation for describing the solubility (1) Initial purity not given, Tianjin Kermel Chemical Reagent Purchase and of naphthalene in various organic solventsa Supply Station, China, was dissolved in acetone, filtered and the acetone evaporated. The sample was then recrystallized several times from methanol. Solvent λ h The purity of the recrystallized sample was 99.8% as determined by UV Heptane 0.62352 9451.2 spectrometry. Methylbenzene 1.4722 2962.2 (2) 99.7%, Tianjin Kermel Chemical Reagent Company, Ltd, China, no Dimethylbenzene mixture of 1.6190 2906.0 information given regarding any further purification. isomers Ethanol 0.62042 15 339.0 Estimated Error: 1-Butanol 1.8991 6048.3 Temperature: 0.2 K.
Propanone 1.0642 4097.0 x1:5% (relative error). aNumerical values of the coefficients were taken from Cui et al.52
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-115
Components: Original Measurements: Experimental Values 15 (1) Naphthalene; C10H8; [91-20-3] A. Aoulmi, M. Bouroukba, R. (2) Eicosane; C H ; [112-95-8] Solimando, and M. Rogalski, Fluid 20 42 T x a x b Phase Equilib. 110, 283 (1995). /K 2 1 324.10 1.000 0.000 Variables: Prepared by: 323.72 0.899 0.101 Temperature W. E. Acree, Jr. 321.48 0.800 0.200 318.13 0.702 0.298 317.38 0.599 0.401 Experimental Values 324.23 0.501 0.499 330.20 0.401 0.599 336.70 0.302 0.698 T/K x a x b 2 1 344.48 0.199 0.801 309.79 1.0000 0.0000 348.14 0.102 0.898 309.42 0.8997 0.1003 353.42 0.000 1.000 308.89 0.7912 0.2088 ax : mole fraction of component 2 in the saturated solution. 307.30 0.6966 0.3034 2 bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 317.40 0.5895 0.4105 1 323.20 0.4975 0.5025 330.90 0.4012 0.5988 337.37 0.3013 0.6987 343.46 0.2004 0.7996 Auxiliary Information 348.36 0.0996 0.9004 352.55 0.0000 1.0000 Method/Apparatus/Procedure: Differential scanning calorimeter. ax : mole fraction of component 2 in the saturated solution. 2 Mixtures of naphthalene and pentacosane were prepared by mass. The bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 resulting mixtures were heated slowly with agitation until the entire sample melted. After melting the sample was immersed in liquid nitrogen to solidify the mixture completely. A small amount of solid was removed and sealed in a The authors employed a SSF to describe the activity coeffi- pan, the capsule was crimped, and placed in the calorimetric block of the cients of naphthalene and eicosane calculated from the solid- differential scanning calorimeter for analysis. liquid equilibrium data. The SSF model gave a calculated T ¼ Source and Purity of Chemicals: eutectic temperature of /K 307.6 and eutectic mole fraction (1) 99%, Fluka Chemical Company, was used as received. of naphthalene of x1 ¼ 0.312. (2) 99%, Fluka Chemical Company, was used as received.
Auxiliary Information Estimated Error: Temperature: 0.7 K. / / Method Apparatus Procedure: x1: 0.002 (estimated by compiler). Differential scanning calorimeter. The phase diagram was determined using a differential scanning calorimeter. Measurements were performed at a constant fixed scanning rate of 0.5 K/min. Components: Original Measurements: Source and Purity of Chemicals: (1) Naphthalene; C H ; [91-20-3] 54P. M. Ghogomu, R. Rakolosaona, (1) 99%, Prolabo, no purification details were given in the paper. 10 8 (2) Pentacosane; C H ; [629-99-2] M. Bouroukba, D. Petitjean, N. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, purification 25 52 Hubert, and M. Dirand, Mol. Cryst. details were not given in the paper. Liq. Cryst. 408, 103 (2004). Estimated Error: Variables: Prepared by: Temperature: Authors state a global accuracy of 1% regarding their Temperature W. E. Acree, Jr. measurements. x1: 0.0002 (estimated by compiler).
Components: Original Measurements: 42 (1) Naphthalene; C10H8; [91-20-3] S. L. Hafsaoui and R. Mahmoud, (2) Pentacosane; C25H52; [629-99-2] J. Therm. Anal. Calorim. 88, 565 (2007). Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Experimental Values Experimental Values
a b a b T/K x2 x1 T/K x2 x1 327.05 1.000 0.000 333.91 1.0000 0.0000 326.65 0.874 0.126 333.65 0.8970 0.1030 325.45 0.768 0.232 333.38 0.7990 0.2010 324.85 0.675 0.325 331.79 0.6997 0.3003 323.35 0.593 0.407 330.63 0.6003 0.3997 322.15 0.524 0.476 329.57 0.4976 0.5024 320.85 0.426 0.574 336.47 0.3505 0.6495 319.05 0.356 0.644 338.32 0.3004 0.6996 321.45 0.308 0.698 341.17 0.2505 0.7495 336.75 0.268 0.732 344.59 0.1993 0.8007 345.15 0.144 0.856 348.73 0.1000 0.9000 348.65 0.085 0.915 352.55 0.0000 1.0000 350.65 0.036 0.964 a x2: mole fraction of component 2 in the saturated solution. 354.05 0.000 1.000 b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). The authors employed a SSF to describe the activity coeffi- cients of naphthalene and octacosane calculated from the solid-liquid equilibrium data. The SSF model gave a calcu- Auxiliary Information lated eutectic temperature of T/K ¼ 329.2 and eutectic mole / / Method Apparatus Procedure: fraction of naphthalene of x1 ¼ 0.524. Coupled simple thermal analysis–differential thermal analysis device constructed in the authors’ laboratory. Auxiliary Information Mixtures of naphthalene and pentacosane were prepared by mass, melted and mixed carefully, and then quenched in a crystallizing dish maintained at very Method/Apparatus/Procedure: low temperature. The solidified mixtures were ground to a fine powder and Differential scanning calorimeter. stored at ambient room temperature. The solidus-liquidus equilibrium The phase diagram was determined using a differential scanning calorimeter. temperature was determined by calorimetric methods using a coupled simple Measurements were performed at a constant fixed scanning rate of 0.5 K/min. thermal analysis–differential thermal analysis device constructed in the authors’ laboratory. Source and Purity of Chemicals: (1) 99%, Prolabo, no purification details were given in the paper. Source and Purity of Chemicals: (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, purification (1) 99%, Fluka Chemical Company, was used as received. details were not given in the paper. (2) 98%, Fluka Chemical Company, was used as received. Estimated Error: Estimated Error: Temperature: Authors state a global accuracy of 1% regarding their Temperature: 0.5 K. measurements. x1: 0.002 (estimated by compiler). x1: 0.0002 (estimated by compiler).
Components: Original Measurements: Components: Original Measurements: 15 59 (1) Naphthalene; C10H8; [91-20-3] A. Aoulmi, M. Bouroukba, R. (1) Naphthalene; C10H8; [91-20-3] A. Shayanfar, S. Soltani, F. (2) Octacosane; C28H58; [630-02-4] Solimando, and M. Rogalski, Fluid (2) 2,2,4-Trimethylpentane; C8H18; Jabbaribar, A. A. Hamidi, W. E. Phase Equilib. 110, 283 (1995). [540-84-1] Acree, Jr., and A. Jouyban, J. Chem. Eng. Data 53, 574 (2008). Variables: Prepared by: Temperature W. E. Acree, Jr. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
Experimental Values
a b c c1 x2 x1 0.692 0.8871 0.1129 a c1: molar solubility of the solute. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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The mole fraction solubility of the solute was calculated by Auxiliary Information the compiler using the experimental density data given in the Method/Apparatus/Procedure: paper. Pyrex glass sample cell, resistance thermometer, view type Dewar flask and a magnetic stirrer. Solubilities were determined by a synthetic-dynamic method. Known masses Auxiliary Information of solute and solvent were placed in the sample. The solid in the solution Method/Apparatus/Procedure: dissolved as the temperature was increased. The temperature at which last Incubator, shaker, and an ultraviolet/visible spectrophotometer. amount of solid dissolved was recorded as the solid-liquid equilibrium Solubility was determined by equilibrating an excess amount of solid temperature. naphthalene with the organic solvent using a shaker placed in an incubator equipped with a temperature controlling system. After an equilibration period Source and Purity of Chemicals: of at least 48 h, the samples were withdrawn and filtered through hydrophobic (1) 99.0%, Wako Pure Chemical Industries Ltd., Osaka, Japan, used as Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with received. methanol. Concentrations were determined by spectrophotmetric analysis at (2) 97.0%, Wako Pure Chemical Industries Ltd. Gas chromatographic analysis 274 nm. showed the purity to be 97.8%. Sample was further purified by distillation by a rotary evaporator. Source and Purity of Chemicals: (1) 99%, Fluka Chemical Company, was used as received. Estimated Error: (2) 99.5%, Merck Chemical Company, Germany. No purification details were Temperature: 0.2 K (estimated by compiler). provided in the paper. x1: <2% (relative error, estimated by compiler).
Estimated Error: Temperature: 0.2 K. x 1: 2% (relative error). Components: Original Measurements: 55 (1) Naphthalene; C10H8; [91-20-3] T. Tsuji, K. Sue, T. Hiaki, and N. (2) trans-Decahydronaphthalene; Itoh, Fluid Phase Equilib. 257, 183
C10H18; [493-02-7] (2007). Components: Original Measurements: Variables: Prepared by: (1) Naphthalene; C H ; [91-20-3] 55T. Tsuji, K. Sue, T. Hiaki, and N. 10 8 Temperature W. E. Acree, Jr. (2) cis-Decahydronaphthalene; C10H18; Itoh, Fluid Phase Equilib. 257, 183 [493-01-6] (2007). Variables: Prepared by: Experimental Values Temperature W. E. Acree, Jr.
a b T/K x2 x1 Experimental Values 353.14 0.0000 1.0000 349.21 0.0687 0.9313 341.67 0.2164 0.7836 T x a x b /K 2 1 335.97 0.3245 0.6755 353.14 0.0000 1.0000 328.04 0.4634 0.5366 347.35 0.1073 0.8927 320.76 0.5739 0.4261 342.01 0.2024 0.7976 313.52 0.6539 0.3461 336.54 0.2985 0.7015 308.20 0.7117 0.2883 330.14 0.4178 0.5822 290.96 0.8272 0.1728 325.40 0.4971 0.5029 269.03 0.9244 0.0756 321.47 0.5488 0.4512 264.10 0.9384 0.0616 308.48 0.7041 0.2959 251.96 0.9610 0.0390 302.29 0.7631 0.2369 242.00 0.9798 0.0202 295.66 0.8045 0.1955 241.98 0.9864 0.0136 272.67 0.9087 0.0913 242.31 0.9899 0.0101 244.47 0.9642 0.0358 242.71 1.0000 0.0000 227.99 0.9800 0.0200 a x2: mole fraction of component 2 in the saturated solution. 226.69 0.9895 0.0105 b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 228.07 1.0000 0.0000 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Auxiliary Information Method/Apparatus/Procedure: Pyrex glass sample cell, resistance thermometer, view type Dewar flask, and a magnetic stirrer. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in the sample. The solid in the solution dissolved as the temperature was increased. The temperature at which last amount of solid dissolved was recorded as the solid-liquid equilibrium temperature.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Source and Purity of Chemicals: 10.3. Naphthalene solubility data in aromatic (1) 99.0%, Wako Pure Chemical Industries Ltd., Osaka, Japan, used as received. hydrocarbons (2) 97.0%, Wako Pure Chemical Industries Ltd. Gas chromatographic analysis showed the purity to be 99.9%, and the chemical was used as received. Components: Original Measurements: 52 Estimated Error: (1) Naphthalene; C10H8; [91-20-3] T.-B. Cui, T.-L. Luo, C. Zhang, Temperature: 0.2 K (estimated by compiler). (2) Methylbenzene; C7H8; [108-88-3] Z.-B. Mao, and G.-J. Liu, J. Chem. x 1: <2% (relative error, estimated by compiler). Eng. Data 54, 1065 (2009). Variables: Prepared by: Temperature W. E. Acree, Jr.
Components: Original Measurements: 15 (1) Naphthalene; C10H8; [91-20-3] A. Aoulmi, M. Bouroukba, R. Experimental Values (2) Squalane; C30H62; [111-01-3] Solimando, and M. Rogalski, Fluid Phase Equilib. 110, 283 (1995). T x a x b Variables: Prepared by: /K 2 1 Temperature W. E. Acree, Jr. 291.35 0.7605 0.2395 301.45 0.6897 0.3103 304.54 0.6604 0.3396 Experimental Values 308.53 0.6261 0.3739 311.93 0.5945 0.4055 315.25 0.5613 0.4387 a b T/K x2 x1 318.55 0.5283 0.4717 327.75 0.4472 0.5528 322.23 0.4973 0.5027 332.05 0.3975 0.6025 324.37 0.4629 0.5371 335.55 0.3486 0.6514 327.55 0.4111 0.5889 338.55 0.2971 0.7029 331.35 0.3626 0.6374 341.05 0.2447 0.7553 334.65 0.3227 0.6773 a 344.05 0.1984 0.8016 x2: mole fraction of component 2 in the saturated solution. b 346.35 0.1487 0.8513 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 348.65 0.0983 0.9017 350.55 0.0492 0.9508 a x2: mole fraction of component 2 in the saturated solution. bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 Auxiliary Information Method/Apparatus/Procedure: The authors employed a SSF to describe the activity coeffi- Double-jacketed glass vessel, laser generator, water bath, photoelectric transformer, and digital display. cients of naphthalene and squalane calculated from the solid- Solubilities were determined by a synthetic-dynamic method. Known masses liquid equilibrium data. The SSF model gave a calculated of solute and solvent were placed in a dissolving flask. The solid in the solution eutectic temperature of T/K ¼ 233.6 and eutectic mole fraction dissolved as the temperature was increased. The temperature at which last amount of solid dissolved was recorded as the solid-liquid equilibrium of naphthalene of x1 ¼ 0.04. temperature. The disappearance of the solid solute was determined by laser monitoring. Auxiliary Information Method/Apparatus/Procedure: Source and Purity of Chemicals: Simple thermal analysis device constructed in the authors’ laboratory, and a (1) Initial purity not given, Tianjin Kermel Chemical Reagent Purchase and high precision platinum-resistance thermometer. Supply Station, China, was dissolved in acetone, filtered and the acetone Phase diagram was determined using a simple thermal device. A sample of evaporated. The sample was then recrystallized several times from methanol. known composition was placed in a thermostatted glass tube, melted, and then The purity of the recrystallized sample was 99.8% as determined by UV slowly cooled at a rate of about 1 K/min. The temperature of the sample was spectrometry. measured with a high precision platinum-resistance thermometer. The (2) 99.5%, Tianjin Kermel Chemical Reagent Company, Ltd, China, no crystallization temperature was obtained from a plot of the cooling curve information given regarding any further purification. versus time. Each measurement was repeated three times. Estimated Error: Source and Purity of Chemicals: Temperature: 0.16 K. x (1) 99%, Prolaboo, no purification details were given in the paper. 1:2% (relative error). (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, purification details were not given in the paper.
Estimated Error: Temperature: Authors state a global accuracy of 1% regarding their measurements. x1: 0.0002 (estimated by compiler).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-119
Components: Original Measurements: Components: Original Measurements: 52 39 (1) Naphthalene; C10H8; [91-20-3] T.-B. Cui, T.-L. Luo, C. (1) Naphthalene; C10H8; [91-20-3] A. C. Mengarelli, S. B. Bottini, (2) Dimethylbenzene (mixture of isomers); Zhang, Z.-B. Mao, and G.-J. (2) Biphenyl; C12H10; [92-52-4] and E. A. Brignole, J. Chem. Eng. C8H10 Liu, J. Chem. Eng. Data 54, Data 40, 746 (1995). 13.3% 1,2-Dimethylbenzene; [95-47-6] 1065 (2009). Variables: Prepared by: 66.4% 1,3-Dimethylbenzene; [108-38-3] Temperature W. E. Acree, Jr. 20.3% 1,4-Dimethylbenzene; [106-42-3] Variables: Prepared by: Temperature W. E. Acree, Jr. Experimental Values
a b Experimental Values T/K x1 x2 351.88 1.00 0.00 347.49 0.92 0.08 T x a x b /K 2 1 342.42 0.83 0.17 299.42 0.7082 0.2918 336.26 0.74 0.26 302.70 0.6821 0.3179 329.50 0.64 0.36 306.14 0.6566 0.3434 321.50 0.55 0.45 309.84 0.6285 0.3715 317.69 0.50 0.50 311.96 0.6019 0.3981 312.20 0.44 0.56 315.52 0.5605 0.4395 316.15 0.39 0.61 319.25 0.5209 0.4791 320.99 0.34 0.66 322.13 0.4917 0.5083 328.76 0.23 0.77 325.05 0.4554 0.5446 335.20 0.12 0.88 328.66 0.4198 0.5802 341.62 0.00 1.00 330.46 0.3914 0.6086 a x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 333.53 0.3533 0.6467 b x2: mole fraction of component 2 in the saturated solution. 335.56 0.3150 0.6850 337.97 0.2804 0.7196 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Auxiliary Information Method/Apparatus/Procedure: Thermostatted liquid bath, platinum resistance thermometer, and a coiled wire driven by a small electrical motor to provide stirring. Auxiliary Information A liquid mixture of known composition was prepared by mass and placed in a Method/Apparatus/Procedure: glass tube. The solution was slowly cooled until a solid phase appeared. The Double-jacketed glass vessel, laser generator, water bath, photoelectric temperature of the solution was recorded continuously with a platinum transformer, and digital display. resistance thermometer. A break point in the temperature versus time curve Solubilities were determined by a synthetic-dynamic method. Known masses indicated formation of a solid phase. The temperature at break point was taken of solute and solvent were placed in a dissolving flask. The solid in the solution to be the solid-liquid equilibrium temperature, and the composition of the dissolved as the temperature was increased. The temperature at which last solution gives the solubility of the crystalline solute in the liquid solvent. amount of solid dissolved was recorded as the solid-liquid equilibrium temperature. The disappearance of the solid solute was determined by laser Source and Purity of Chemicals: monitoring. (1) Chemical purity and source not given in the paper. (2) Chemical purity and source not given in the paper. Source and Purity of Chemicals: (1) Initial purity not given, Tianjin Kermel Chemical Reagent Purchase and Estimated Error: Supply Station, China, was dissolved in acetone, filtered and the acetone Temperature: 0.5 K. evaporated. The sample was then recrystallized several times from methanol. x1: 0.01 (estimated by compiler). The purity of the recrystallized sample was 99.8% as determined by UV spectrometry. (2) Mixture of isomers, Tianjin Kermel Chemical Reagent Company, Ltd, China, no information given regarding any further purification. Components: Original Measurements: (1) Naphthalene; C H ; [91-20-3] 56B. L. Sharma, R. Kant, R. Estimated Error: 10 8 (2) Phenanthrene; C H ; [85-01-8] Sharma, and S. Tandon, Mater. Temperature: 0.1 K. 14 10 Chem. Phys. 82, 216 (2003). x1:1% (relative error). Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-120 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Double-jacketed glass vessel, laser generator, water bath, photoelectric T/K x a x b 2 1 transformer, and digital display. 373.0 1.0 0.0 Solubilities were determined by a synthetic-dynamic method. Known masses 364.0 0.9 0.1 of solute and solvent were placed in the inner chamber of a double-jacketed 356.0 0.8 0.2 glass vessel. The vessel was maintained at a constant temperature by 348.0 0.7 0.3 circulating water from a water bath equipped with a thermoelectric controller. 339.0 0.6 0.4 The solute and solvent mixture was stirred with a magnetic stirrer. 1–3 mg of 329.0 0.5 0.5 solute were added at predetermined intervals until no more solid would 326.0 0.4 0.6 dissolve. Disappearance of the added solute was observed visually and with 334.0 0.3 0.7 laser monitoring. 340.0 0.2 0.8 346.5 0.1 0.9 Source and Purity of Chemicals: 353.0 0.0 1.0 (1) 99%, Tianjin Kermel Chemical Reagent, China, was used as received. a (2) Research Grade, Shanghai Chemical Reagent, China, was used as received. x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Estimated Error: Temperature: 0.1 K. x : 1.0% (relative error). Auxiliary Information 1 Method/Apparatus/Procedure: The only experimental details provided in the paper was a statement by the authors that the solidus-liquid equilibrium data were obtained by the thaw- Components: Original Measurements: point melting technique. 53 (1) Naphthalene; C10H8; [91-20-3] Q.-S. Li, Z.-M. Yi, M.-G. (2) 2-Methylpropyl ethanoate; C6H12O2; Su, and X.-F. Sun, J. Chem. Source and Purity of Chemicals: [110-19-0] Eng. Data 53, 2701 (2008). (1) Laboratory Reagent Grade, Riedel Chemicals, was purified by sublimation. (2) Analytical Reagent Grade, Fluka Chemicals, was purified by repeated Variables: Prepared by: recrystallizations from ethyl ethanoate. Temperature W. E. Acree, Jr.
Estimated Error: Temperature: 0.5 K (estimated by compiler). Experimental Values x1: 0.05 (estimated by compiler).
a b T/K x2 x1 278.18 0.8169 0.1831 10.4. Naphthalene solubility data in esters 283.20 0.4953 0.2047 288.22 0.4681 0.2319 293.23 0.7407 0.2593 298.19 0.7011 0.2989 Components: Original Measurements: 303.23 0.6655 0.3345 53 (1) Naphthalene; C10H8; [91-20-3] Q.-S. Li, Z.-M. Yi, M.-G. 308.45 0.6135 0.3865 (2) Ethyl ethanoate; C4H8O2; [141-78-6] Su, and X.-F. Sun, J. Chem. 313.20 0.5673 0.4327 Eng. Data 53, 2701 (2008). 318.17 0.5166 0.4834 Variables: Prepared by: 323.21 0.4607 0.5393 a Temperature W. E. Acree, Jr. x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Experimental Values Auxiliary Information
a b Method/Apparatus/Procedure: T/K x2 x1 Double-jacketed glass vessel, laser generator, water bath, photoelectric 278.20 0.8256 0.1744 transformer, and digital display. 283.17 0.8090 0.1910 Solubilities were determined by a synthetic-dynamic method. Known masses 288.21 0.7826 0.2174 of solute and solvent were placed in the inner chamber of a double-jacketed 293.19 0.7670 0.2330 glass vessel. The vessel was maintained at a constant temperature by 298.25 0.7236 0.2764 circulating water from a water bath equipped with a thermoelectric controller. 303.20 0.6861 0.3139 The solute and solvent mixture was stirred with a magnetic stirrer. 1–3 mg of 308.21 0.6429 0.3571 solute were added at predetermined intervals until no more solid would 313.23 0.5940 0.4060 dissolve. Disappearance of the added solute was observed visually and with 318.17 0.5349 0.4651 laser monitoring. 323.21 0.4743 0.5257 ax 2: mole fraction of component 2 in the saturated solution. Source and Purity of Chemicals: bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (1) 99%, Tianjin Kermel Chemical Reagent, China, was used as received. (2) Research Grade, Shanghai Chemical Reagent, China, was used as received.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-121
Estimated Error: Variables: Prepared by: Temperature: 0.1 K. Temperature W. E. Acree, Jr. x1: 1.0% (relative error).
Experimental Values
10.5. Naphthalene solubility data in ethers a b T/K x2 x1 259.7 0.9982 0.00179 268.2 0.9974 0.00264 Components: Original Measurements: 283.2 0.9932 0.00678 53 (1) Naphthalene; C10H8; [91-20-3] Q.-S. Li, Z.-M. Yi, M.-G. 298.2 0.9893 0.0107 (2) Tetrahydrofuran; C4H8O; Su, and X.-F. Sun, J. Chem. 313.3 0.9867 0.0133 [109-99-9] Eng. Data 53, 2701 (2008). 328.2 0.9680 0.0320 a Variables: Prepared by: x2: mole fraction of component 2 in the saturated solution. b Temperature W. E. Acree, Jr. x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Experimental Values
Auxiliary Information T/K x a x b 2 1 Method/Apparatus/Procedure: 278.60 0.7588 0.2412 UV/visible spectrophotometer. 284.35 0.7274 0.2726 Solubilities were determined by supersaturating the solvent with naphthalene 288.25 0.7082 0.2918 and measuring the amount of dissolved solute using a spectroscopic method. 293.25 0.6758 0.3242 Aliquots of the saturated solution were pipette into a volumetric flask, and 298.00 0.6484 0.3516 diluted with acetonitrile. If necessary, the sample was further diluted to bring 303.20 0.6151 0.3849 the measured absorbance to within the linear range of the absorbance versus 308.19 0.5716 0.4284 calibration curve obtained from absorbance measurements on solutions of 313.25 0.5315 0.4685 known naphthalene concentration. Absorbance measurements recorded at 318.35 0.4898 0.5102 275 nm. 323.20 0.4343 0.5657 328.21 0.4001 0.5999 Source and Purity of Chemicals: 333.22 0.3708 0.6292 (1) Purity and Chemical Source were not given, was used as received. a (2) 99%, Name of commercial supplier was not given, used as received. x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Estimated Error: Temperature: 0.1 K.
x1: 2.0% (relative error, estimated by compiler).
Auxiliary Information Method/Apparatus/Procedure: Double-jacketed glass vessel, laser generator, water bath, photoelectric Components: Original Measurements: 60 transformer, and digital display. (1) Naphthalene; C10H8; [91-20-3] A. F. Lagalante, A. Solubilities were determined by a synthetic-dynamic method. Known masses (2) Ethyl nonafluorobutyl ether; Abdulagatov, and T. J. Bruno, J. of solute and solvent were placed in the inner chamber of a double-jacketed C6H5F9O; [163702-05-4] Chem. Eng. Data 47, 47 (2002). glass vessel. The vessel was maintained at a constant temperature by Variables: Prepared by: circulating water from a water bath equipped with a thermoelectric controller. Temperature W. E. Acree, Jr. The solute and solvent mixture was stirred with a magnetic stirrer. 1–3 mg of solute were added at predetermined intervals until no more solid would dissolve. Disappearance of the added solute was observed visually and with Experimental Values laser monitoring.
Source and Purity of Chemicals: a b T/K x x (1) 99%, Tianjin Kermel Chemical Reagent, China, was used as received. 2 1 (2) Research Grade, Shanghai Chemical Reagent, China, was used as received. 259.7 0.9963 0.00374 268.2 0.9950 0.00500 Estimated Error: 283.2 0.9924 0.00763 Temperature: 0.1 K. 298.2 0.9863 0.0137 313.3 0.9784 0.0216 x1: 1.0% (relative error). 328.2 0.7930 0.207 343.2 0.7390 0.261 a x2: mole fraction of component 2 in the saturated solution. bx Components: Original Measurements: 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 60 (1) Naphthalene; C10H8; [91-20-3] A. F. Lagalante, A. (2) Methyl nonafluorobutyl ether; Abdulagatov, and T. J. Bruno, J.
C5H3F9O; [163702-07-6] Chem. Eng. Data 47, 47 (2002).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-122 WILLIAM E. ACREE, JR.
Auxiliary Information Source and Purity of Chemicals: (1) Analytically pure, Polish Chemical Reagents, Gliwice, Poland, / / Method Apparatus Procedure: recrystallized twice from distilled benzene and then from anhydrous ethanol. UV/visible spectrophotometer. (2) 99.5+%, purchased from either Fluka or Aldrich Chemical Company, was Solubilities were determined by supersaturating the solvent with naphthalene used as received. and measuring the amount of dissolved solute using a spectroscopic method. Aliquots of the saturated solution were pipette into a volumetric flask, and Estimated Error: diluted with acetonitrile. If necessary, the sample was further diluted to bring Temperature: 0.3 K. the measured absorbance to within the linear range of the absorbance versus x1: < 1% (relative error). calibration curve obtained from absorbance measurements on solutions of known naphthalene concentration. Absorbance measurements recorded at 275 nm.
Source and Purity of Chemicals: Components: Original Measurements: 13 (1) Purity and Chemical Source were not given, was used as received. (1) Naphthalene; C10H8; [91-20-3] I. Kotula and B. Marciniak, (2) 99%, Name of commercial supplier was not given, used as received. (2) Tetrachloromethane; CCl4; [56-23-5] J. Chem. Eng. Data 46, 783 (2001). Estimated Error: Variables: Prepared by: Temperature: 0.1 K. Temperature W. E. Acree, Jr. x1: 1.0% (relative error).
Experimental Values
10.6. Naphthalene solubility data in haloalkanes, T x a x b haloalkenes, and haloaromatic hydrocarbons /K 2 1 288.45 0.8070 0.1930 291.35 0.7892 0.2108 295.35 0.7623 0.2377 Components: Original Measurements: 297.05 0.7498 0.2502 13 (1) Naphthalene; C10H8; [91-20-3] I. Kotula and B. Marciniak, J. 298.65 0.7375 0.2625 (2) Trichloromethane; CHCl3; [67-66-3] Chem. Eng. Data 46, 783 (2001). 305.15 0.6848 0.3152 Variables: Prepared by: 311.05 0.6301 0.3699 Temperature W. E. Acree, Jr. 313.55 0.6048 0.3952 317.95 0.5566 0.4434 318.75 0.5480 0.4520 Experimental Values 320.15 0.5319 0.4681 321.85 0.5107 0.4893 a x2: mole fraction of component 2 in the saturated solution. T x a x b b /K 2 1 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 288.85 0.7501 0.2499 290.15 0.7415 0.2585 293.05 0.7214 0.2786 296.55 0.6956 0.3044 300.65 0.6633 0.3367 Auxiliary Information 305.55 0.6215 0.3785 Method/Apparatus/Procedure: 310.05 0.5799 0.4201 Constant-temperature bath, electric glass furnace, heater, mercury 312.55 0.5554 0.4446 thermometer. 315.65 0.5237 0.4763 Solubilities were determined by a synthetic-dynamic method. Known masses 318.25 0.4959 0.5041 of solute and solvent were placed in a Pyrex test tube and sealed by a flexible 320.05 0.4759 0.5241 rubber cap mounted on a calibrated mercury thermometer. The solute-solvent 322.95 0.4426 0.5574 were heated using an electrical glass furnace equipped with a platinum resistor a x2: mole fraction of component 2 in the saturated solution. placed near the heater. Samples were agitated and the temperature at which the b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). solid solute disappeared was observed against a dark screen by means of stereoscopic microscope.
Source and Purity of Chemicals: Auxiliary Information (1) Analytically pure, Polish Chemical Reagents, Gliwice, Poland, Method/Apparatus/Procedure: recrystallized twice from distilled benzene and then from anhydrous ethanol. Constant-temperature bath, electric glass furnace, heater, mercury (2) Purity not given, Polish Chemical Reagents, Gliwice, Poland, was dried thermometer. over anhydrous sodium sulfate and then fractionally distilled. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in a Pyrex test tube and sealed by a flexible Estimated Error: rubber cap mounted on a calibrated mercury thermometer. The solute-solvent Temperature: 0.3 K. were heated using an electrical glass furnace equipped with a platinum resistor x1: < 1% (relative error). placed near the heater. Samples were agitated and the temperature at which the solid solute disappeared was observed against a dark screen by means of stereoscopic microscope.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-123
a b Components: Original Measurements: T/K x2 x1 13 (1) Naphthalene; C10H8; [91-20-3] I. Kotula and B. Marciniak, 298.55 0.6801 0.3199 (2) 1,1-Dichloroethane; C2H4Cl2; [75-34-3] J. Chem. Eng. Data 46, 783 302.55 0.6475 0.3525 (2001). 306.05 0.6170 0.3830 Variables: Prepared by: 308.55 0.5941 0.4059 Temperature W. E. Acree, Jr. 310.05 0.5799 0.4201 313.05 0.5504 0.4496 315.05 0.5299 0.4701 Experimental Values 316.85 0.5110 0.4890 318.55 0.4926 0.5074 320.05 0.4759 0.5241 a b T/K x2 x1 321.85 0.4555 0.5445 a 288.35 0.7663 0.2337 x2: mole fraction of component 2 in the saturated solution. b 289.85 0.7566 0.2434 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 296.35 0.7105 0.2895 300.65 0.6773 0.3227 305.95 0.6313 0.3687 Auxiliary Information 313.45 0.5601 0.4399 / / 318.25 0.5086 0.4914 Method Apparatus Procedure: 323.75 0.4457 0.5543 Constant-temperature bath, electric glass furnace, heater, mercury thermometer. ax 2: mole fraction of component 2 in the saturated solution. Solubilities were determined by a synthetic-dynamic method. Known masses bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). of solute and solvent were placed in a Pyrex test tube and sealed by a flexible rubber cap mounted on a calibrated mercury thermometer. The solute-solvent were heated using an electrical glass furnace equipped with a platinum resistor placed near the heater. Samples were agitated and the temperature at which the Auxiliary Information solid solute disappeared was observed against a dark screen by means of stereoscopic microscope. Method/Apparatus/Procedure: Constant-temperature bath, electric glass furnace, heater, mercury Source and Purity of Chemicals: thermometer. (1) Analytically pure, Polish Chemical Reagents, Gliwice, Poland, Solubilities were determined by a synthetic-dynamic method. Known masses recrystallized twice from distilled benzene and then from anhydrous ethanol. of solute and solvent were placed in a Pyrex test tube and sealed by a flexible (2) 99.5+%, purchased from either Fluka or Aldrich Chemical Company, was rubber cap mounted on a calibrated mercury thermometer. The solute-solvent used as received. were heated using an electrical glass furnace equipped with a platinum resistor placed near the heater. Samples were agitated and the temperature at which the Estimated Error: solid solute disappeared was observed against a dark screen by means of Temperature: 0.3 K. stereoscopic microscope. x1: < 1% (relative error).
Source and Purity of Chemicals: (1) Analytically pure, Polish Chemical Reagents, Gliwice, Poland, recrystallized twice from distilled benzene and then from anhydrous ethanol. Components: Original Measurements: (2) Purity not given, Polish Chemical Reagents, Glowice, Poland, was dried (1) Naphthalene; C H ; [91-20-3] 13I. Kotula and B. Marciniak, J. over anhydrous sodium sulfate and then fractionally distilled. 10 8 (2) Trichloroethene; C2HCl3; [79-01-6] Chem. Eng. Data 46, 783 (2001). Estimated Error: Variables: Prepared by: Temperature: 0.3 K. Temperature W. E. Acree, Jr. x1: < 1% (relative error).
Experimental Values
Components: Original Measurements: a b 13 T/K x2 x1 (1) Naphthalene; C10H8; [91-20-3] I. Kotula and B. Marciniak, (2) 1,2-Dichloroethane; C2H4Cl2; J. Chem. Eng. Data 46, 783 288.35 0.7839 0.2161 [107-06-2] (2001). 290.85 0.7679 0.2321 298.55 0.7126 0.2874 Variables: Prepared by: 300.85 0.6944 0.3056 Temperature W. E. Acree, Jr. 303.35 0.6735 0.3265 310.15 0.6115 0.3885 315.85 0.5531 0.4469 Experimental Values 318.45 0.5244 0.4756 321.75 0.4861 0.5139
a b 323.25 0.4679 0.5321 T/K x2 x1 ax : mole fraction of component 2 in the saturated solution. 288.35 0.7534 0.2466 2 bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 291.65 0.7312 0.2688 1 294.15 0.7134 0.2866 296.55 0.6956 0.3044
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-124 WILLIAM E. ACREE, JR.
Auxiliary Information Source and Purity of Chemicals: (1) Analytically pure, Polish Chemical Reagents, Gliwice, Poland, / / Method Apparatus Procedure: recrystallized twice from distilled benzene and then from anhydrous ethanol. Constant-temperature bath, electric glass furnace, heater, mercury (2) 99.5+%, purchased from either Fluka or Aldrich Chemical Company, was thermometer. used as received. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in a Pyrex test tube and sealed by a flexible Estimated Error: rubber cap mounted on a calibrated mercury thermometer. The solute-solvent Temperature: 0.3 K. were heated using an electrical glass furnace equipped with a platinum resistor x1: < 1% (relative error). placed near the heater. Samples were agitated and the temperature at which the solid solute disappeared was observed against a dark screen by means of stereoscopic microscope.
Source and Purity of Chemicals: Components: Original Measurements: 57 (1) Analytically pure, Polish Chemical Reagents, Gliwice, Poland, (1) Naphthalene; C10H8; [91-20-3] D. Wei and K. Jin, J. recrystallized twice from distilled benzene and then from anhydrous ethanol. (2) 1,2-Dichlorobenzene; C6H4Cl2; [95-50-1] Chem. Thermodyn. 41, (2) 99.5+%, purchased from either Fluka or Aldrich Chemical Company, was 145 (2009). used as received. Variables: Prepared by: Temperature W. E. Acree, Jr. Estimated Error: Temperature: 0.3 K. x 1: < 1% (relative error). Experimental Values
a b T/K x2 x1 Components: Original Measurements: 255.85 1.0000 0.0000 13 (1) Naphthalene; C10H8; [91-20-3] I. Kotula and B. Marciniak, 244.25 0.9711 0.0289 (2) Tetrachloroethene; C2Cl4; [127-18-4] J. Chem. Eng. Data 46, 783 240.65 0.9251 0.0749 (2001). 252.15 0.8579 0.1421 270.75 0.7910 0.2090 Variables: Prepared by: 278.25 0.7568 0.2432 Temperature W. E. Acree, Jr. 285.35 0.7199 0.2801 289.25 0.7018 0.2982 Experimental Values 295.65 0.6585 0.3415 304.95 0.6036 0.3964 309.15 0.5700 0.4300 313.55 0.5331 0.4669 T/K x a x b 2 1 319.45 0.4710 0.5290 288.45 0.8324 0.1676 323.35 0.4388 0.5612 290.65 0.8196 0.1804 329.45 0.3770 0.6230 292.65 0.8071 0.1929 330.65 0.3510 0.6490 294.45 0.7957 0.2043 336.65 0.2787 0.7213 294.85 0.7932 0.2068 339.25 0.2308 0.7692 296.25 0.7840 0.2160 344.45 0.1529 0.8471 297.95 0.7712 0.2288 347.65 0.1098 0.8902 302.65 0.7350 0.2650 349.15 0.0779 0.9221 306.15 0.7055 0.2945 353.25 0.0000 1.0000 309.65 0.6734 0.3266 ax 312.45 0.6458 0.3542 2: mole fraction of component 2 in the saturated solution. bx 318.35 0.5819 0.4181 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 323.95 0.5139 0.4861 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). The authors report that the system is of an incongruent eutectic type. The eutectic point occurs at T/K ¼ 232.55 and x1 ¼ 0.130, and the peritectic point occurs at T/K ¼ 250.15 and x1 ¼ 0.077. The composition of the incongruent compound Auxiliary Information is a molar ratio of 1:1 between naphthalene and 1,2- dichlorobenzene. Method/Apparatus/Procedure: Constant-temperature bath, electric glass furnace, heater, mercury thermometer. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in a Pyrex test tube and sealed by a flexible rubber cap mounted on a calibrated mercury thermometer. The solute-solvent were heated using an electrical glass furnace equipped with a platinum resistor placed near the heater. Samples were agitated and the temperature at which the solid solute disappeared was observed against a dark screen by means of stereoscopic microscope.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Auxiliary Information Auxiliary Information Method/Apparatus/Procedure: Method/Apparatus/Procedure: Differential scanning calorimeter. Differential scanning calorimeter. Phase diagram was determined using a differential scanning calorimeter. Phase diagram was determined using a differential scanning calorimeter. Samples of naphthalene and dichlorobenzene were heated very slowly inside a Samples of naphthalene and dichlorobenzene were heated very slowly inside a glass tube near the melting point of the major component. The fluid solution glass tube near the melting point of the major component. The fluid solution was then allowed to solidify with continuous stirring. A small quantity of the was then allowed to solidify with continuous stirring. A small quantity of the solid material was then sealed into a dsc sampling crucible for analysis. solid material was then sealed into a dsc sampling crucible for analysis. Measurements were performed at a constant fixed scanning rate of 1 K/min. Measurements were performed at a constant fixed scanning rate of 1 K/min.
Source and Purity of Chemicals: Source and Purity of Chemicals: (1) 99.5+%, Analytical Research Grade, Tianjin Kewei Chemical Reagent (1) 99.5+%, Analytical Research Grade, Tianjin Kewei Chemical Reagent Company, China, was used as received. Company, China, was used as received. (2) 99.5+%, Analytical Research Grade, Tianjin Kewei Chemical Reagent (2) 99.5+%, Analytical Research Grade, Tianjin Kewei Chemical Reagent Company, China, was used as received. Company, China, was used as received.
Estimated Error: Estimated Error: Temperature: 0.2 K. Temperature: 0.2 K. x1: 0.002 (estimated by compiler). x1: 0.002 (estimated by compiler).
Components: Original Measurements: Components: Original Measurements: 57 57 (1) Naphthalene; C10H8; [91-20-3] D. Wei and K. Jin, J. Chem. (1) Naphthalene; C10H8; [91-20-3] D. Wei and K. Jin, J. Chem. (2) 1,3-Dichlorobenzene; C6H4Cl2; Thermodyn. 41, 145 (2009). (2) 1,4-Dichlorobenzene; C6H4Cl2; Thermodyn. 41, 145 (2009). [541-73-1] [106-46-7] Variables: Prepared by: Variables: Prepared by: Temperature W. E. Acree, Jr. Temperature W. E. Acree, Jr.
Experimental Values Experimental Values
a b a b T/K x2 x1 T/K x2 x1 248.25 1.0000 0.0000 326.15 1.0000 0.0000 261.15 0.8886 0.1114 321.95 0.9263 0.0737 272.35 0.8420 0.1580 317.05 0.8500 0.1500 283.45 0.7822 0.2178 314.15 0.8078 0.1922 293.05 0.7189 0.2811 311.65 0.7630 0.2370 299.25 0.6750 0.3250 310.65 0.7437 0.2563 304.15 0.6329 0.3671 307.15 0.6938 0.3062 311.65 0.5640 0.4360 305.15 0.6562 0.3438 317.55 0.5038 0.4962 306.25 0.5772 0.4228 321.85 0.4542 0.5458 312.35 0.5169 0.4831 324.15 0.4299 0.5701 320.15 0.4410 0.5590 326.55 0.4030 0.5970 326.65 0.3740 0.6260 331.05 0.3420 0.6580 331.35 0.3157 0.6843 334.45 0.2949 0.7051 335.05 0.2689 0.7311 336.35 0.2679 0.7321 339.65 0.2042 0.7958 338.15 0.2458 0.7542 343.55 0.1568 0.8432 340.95 0.2038 0.7962 347.95 0.0791 0.9209 343.65 0.1681 0.8319 350.75 0.0470 0.9530 346.15 0.1252 0.8748 353.25 0.0000 1.0000 347.95 0.0918 0.9082 a x2: mole fraction of component 2 in the saturated solution. 349.15 0.0711 0.9289 b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 350.95 0.0429 0.9571 353.25 0.0000 1.0000 a x2: mole fraction of component 2 in the saturated solution. b The authors report that the system is of a simple eutectic x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). type. The eutectic point occurs at T/K ¼ 302.85 and x1 ¼ 0.390.
The authors report that the system is of an incongruent eutectic type. The eutectic point occurs at T/K ¼ 244.85 and x1 ¼ 0.058.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-126 WILLIAM E. ACREE, JR.
Auxiliary Information Estimated Error: Temperature: 0.2 K. Method/Apparatus/Procedure: x1: 2% (relative error). Differential scanning calorimeter. The phase diagram was determined using a differential scanning calorimeter. Samples of naphthalene and dichlorobenzene were heated very slowly inside a glass tube near the melting point of the major component. The fluid solution was then allowed to solidify with continuous stirring. A small quantity of the Components: Original Measurements: 59 solid material was then sealed into a dsc sampling crucible for analysis. (1) Naphthalene; C10H8; [91-20-3] A. Shayanfar, S. Soltani, F. Measurements were performed at a constant fixed scanning rate of 1 K/min. (2) Ethanol; C2H6O; [64-17-5] Jabbaribar, A. A. Hamidi, W. E. Acree, Jr., and A. Jouyban, J. Source and Purity of Chemicals: Chem. Eng. Data 53, 574 (2008). (1) 99.5+%, Analytical Research Grade, Tianjin Kewei Chemical Reagent Variables: Prepared by: Company, China, was used as received. T/K ¼ 298.15 W. E. Acree, Jr. (2) 99.5+%, Analytical Research Grade, Tianjin Kewei Chemical Reagent Company, China, was used as received. Experimental Values Estimated Error: Temperature: 0.2 K. x : 0.002 (estimated by compiler). a b c 1 c1 x2 x1 0.558 0.9664 0.0336 a c1: molar solubility of the solute. b x2: mole fraction of component 2 in the saturated solution. 10.7. Naphthalene solubility data in alcohols c x1: mole fraction solubility of the solute.
Components: Original Measurements: The mole fraction solubility of the solute was calculated by (1) Naphthalene; C H ; [91-20-3] 59A. Shayanfar, S. Soltani, F. 10 8 the compiler using the experimental density data given in the (2) Methanol; CH4O; 67-56-1] Jabbaribar, A. A. Hamidi, W. E. Acree, Jr., and A. Jouyban, J. paper. Chem. Eng. Data 53, 574 (2008). Variables: Prepared by: Auxiliary Information T/K ¼ 298.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Incubator, shaker, and an ultraviolet/visible spectrophotometer. Solubility was determined by equilibrating an excess amount of solid Experimental Values naphthalene with the organic solvent using a shaker placed in an incubator equipped with a temperature controlling system. After an equilibration period of at least 48 h the samples were withdrawn and filtered through hydrophobic a b c c1 x2 x1 Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with methanol. Concentrations were determined by spectrophotmetric analysis at 0.540 0.9771 0.0229 a 274 nm. c1: molar solubility of the solute. bx : mole fraction of component 2 in the saturated solution. 2 Source and Purity of Chemicals: cx : mole fraction solubility of the solute. 1 (1) 99%, Fluka Chemical Company, was used as received. (2) 99.5%, Merck Chemical Company, Germany. No purification details were provided in the paper. The mole fraction solubility of the solute was calculated by the compiler using the experimental density data given in the Estimated Error: paper. Temperature: 0.2 K. x1: 2% (relative error). Auxiliary Information Method/Apparatus/Procedure: Incubator, shaker, and an ultraviolet/visible spectrophotometer. Components: Original Measurements: Solubility was determined by equilibrating an excess amount of solid 52 (1) Naphthalene; C10H8; [91-20-3] T.-B. Cui, T.-L. Luo, C. Zhang, naphthalene with the organic solvent using a shaker placed in an incubator (2) Ethanol; C2H6O; [64-17-5] Z.-B. Mao, and G.-J. Liu, J. Chem. equipped with a temperature controlling system. After an equilibration period Eng. Data 54, 1065 (2009). of at least 48 h, the samples were withdrawn and filtered through hydrophobic Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with Variables: Prepared by: methanol. Concentrations were determined by spectrophotmetric analysis at Temperature W. E. Acree, Jr. 274 nm.
Source and Purity of Chemicals: (1) 99%, Fluka Chemical Company, was used as received. (2) 99.5%, Merck Chemical Company, Germany. No purification details were provided in the paper.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-127
Experimental Values Experimental Values
a b a b c T/K x2 x1 c1 x2 x1 304.26 0.9536 0.04640 0.601 0.9539 0.0461 307.44 0.9469 0.05311 a c1: molar solubility of the solute. 309.53 0.9434 0.05656 b x2: mole fraction of component 2 in the saturated solution. 311.93 0.9386 0.06141 c x1: mole fraction solubility of the solute. 314.52 0.3642 0.06584 315.93 0.9297 0.07025 318.07 0.9240 0.07601 319.80 0.9184 0.08161 The mole fraction solubility of the solute was calculated by 321.46 0.9124 0.08761 the compiler using the experimental density data given in the 323.45 0.8965 0.1035 paper. 325.68 0.8838 0.1162 327.32 0.8715 0.1285 329.34 0.8605 0.1395 Auxiliary Information 330.43 0.8461 0.1539 Method/Apparatus/Procedure: 332.00 0.8258 0.1742 Incubator, shaker, and an ultraviolet/visible spectrophotometer. 333.90 0.7964 0.2036 Solubility was determined by equilibrating an excess amount of solid 335.90 0.7618 0.2382 naphthalene with the organic solvent using a shaker placed in an incubator 337.76 0.7065 0.2935 equipped with a temperature controlling system. After an equilibration period 339.76 0.6185 0.3815 of at least 48 h, the samples were withdrawn and filtered through hydrophobic a μ x2: mole fraction of component 2 in the saturated solution. Durapore filters (0.45 m). The filtered sample was diluted quantitatively with b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). methanol. Concentrations were determined by spectrophotmetric analysis at 274 nm.
Source and Purity of Chemicals: (1) 99%, Fluka Chemical Company, was used as received. Auxiliary Information (2) 99.5%, Merck Chemical Company, Germany. No purification details were Method/Apparatus/Procedure: provided in the paper. Double-jacketed glass vessel, laser generator, water bath, photoelectric Estimated Error: transformer, and digital display. Solubilities were determined by a synthetic-dynamic method. Known masses Temperature: 0.2 K. x : 2% (relative error). of solute and solvent were placed in a dissolving flask. The solid in the solution 1 dissolved as the temperature was increased. The temperature at which the last amount of solid dissolved was recorded as the solid-liquid equilibrium temperature. The disappearance of the solid solute was determined by laser monitoring. Components: Original Measurements: 59 (1) Naphthalene; C10H8; [91-20-3] A. Shayanfar, S. Soltani, F. Source and Purity of Chemicals: (2) 2-Propanol: C3H8O; [67-63-0] Jabbaribar, A. A. Hamidi, W. E. (1) Initial purity not given, Tianjin Kermel Chemical Reagent Purchase and Acree, Jr., and A. Jouyban, J. Supply Station, China, was dissolved in acetone, filtered and the acetone Chem. Eng. Data 53, 574 (2008). evaporated. The sample was then recrystallized several times from methanol. Variables: Prepared by: The purity of the recrystallized sample was 99.8% as determined by UV T/K ¼ 298.15 W. E. Acree, Jr. spectrometry. (2) 99.7%, Tianjin Kermel Chemical Reagent Company, Ltd, China, no information given regarding any further purification. Experimental Values Estimated Error: Temperature: 0.2 K. a b c c1 x2 x1 x1:3% (relative error). 0.571 0.9549 0.0451 a c1: molar solubility of the solute. b x2: mole fraction of component 2 in the saturated solution. cx Components: Original Measurements: 1: mole fraction solubility of the solute. 59 (1) Naphthalene; C10H8; [91-20-3] A. Shayanfar, S. Soltani, F. (2) 1-Propanol; C3H8O; [71-23-8] Jabbaribar, A. A. Hamidi, W. E. Acree, Jr., and A. Jouyban, J. The mole fraction solubility of the solute was calculated by Chem. Eng. Data 53, 574 (2008). the compiler using the experimental density data given in the Variables: Prepared by: paper. T/K ¼ 298.15 W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-128 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 52 Method/Apparatus/Procedure: (1) Naphthalene; C10H8; [91-20-3] T.-B. Cui, T.-L. Luo, C. Zhang, Incubator, shaker, and an ultraviolet/visible spectrophotometer. (2) 1-Butanol; C4H10O; [71-36-3] Z.-B. Mao, and G.-J. Liu, J. Chem. Solubility was determined by equilibrating an excess amount of solid Eng. Data 54, 1065 (2009). naphthalene with the organic solvent using a shaker placed in an incubator Variables: Prepared by: equipped with a temperature controlling system. After an equilibration period Temperature W. E. Acree, Jr. of at least 48 h, the samples were withdrawn and filtered through hydrophobic Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with methanol. Concentrations were determined by spectrophotmetric analysis at Experimental Values 274 nm.
Source and Purity of Chemicals: T/K x a x b (1) 99%, Fluka Chemical Company, was used as received. 2 1 (2) 99.5%, Merck Chemical Company, Germany. No purification details were 313.77 0.8873 0.1127 provided in the paper. 315.17 0.8805 0.1195 317.98 0.8612 0.1388 Estimated Error: 320.74 0.8410 0.1590 Temperature: 0.2 K. 323.67 0.8172 0.1828 325.60 0.7954 0.2046 x1: 2% (relative error). 327.76 0.7721 0.2279 329.03 0.7476 0.2524 331.80 0.7063 0.2937 333.65 0.6674 0.3326 Components: Original Measurements: 59 335.10 0.6251 0.3749 (1) Naphthalene; C10H8; [91-20-3] A. Shayanfar, S. Soltani, F. 337.00 0.5637 0.4363 (2) 1-Butanol; C4H10O; [71-36-3] Jabbaribar, A. A. Hamidi, W. E. 338.15 0.5234 0.4766 Acree, Jr., and A. Jouyban, J. 339.63 0.4735 0.5265 Chem. Eng. Data 53, 574 (2008). 340.65 0.4326 0.5674 Variables: Prepared by: 342.04 0.3803 0.6197 T/K ¼ 298.15 W. E. Acree, Jr. 342.80 0.3395 0.6605 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Experimental Values
a b c c1 x2 x1 0.705 0.9339 0.0661 Auxiliary Information a / / c1: molar solubility of the solute. Method Apparatus Procedure: b x2: mole fraction of component 2 in the saturated solution. Double-jacketed glass vessel, laser generator, water bath, photoelectric c x1: mole fraction solubility of the solute. transformer, and digital display. Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in a dissolving flask. The solid in the solution dissolved as the temperature was increased. The temperature at which the last The mole fraction solubility of the solute was calculated by amount of solid dissolved was recorded as the solid-liquid equilibrium the compiler using the experimental density data given in the temperature. The disappearance of the solid solute was determined by laser paper. monitoring.
Source and Purity of Chemicals: Auxiliary Information (1) Initial purity not given, Tianjin Kermel Chemical Reagent Purchase and Method/Apparatus/Procedure: Supply Station, China, was dissolved in acetone, filtered and the acetone Incubator, shaker, and an ultraviolet/visible spectrophotometer. evaporated. The sample was then recrystallized several times from methanol. Solubility was determined by equilibrating an excess amount of solid The purity of the recrystallized sample was 99.8% as determined by UV naphthalene with the organic solvent using a shaker placed in an incubator spectrometry. equipped with a temperature controlling system. After an equilibration period (2) 99.0%, Tianjin Kermel Chemical Reagent Company, Ltd, China, no of at least 48 h, the samples were withdrawn and filtered through hydrophobic information given regarding any further purification. Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with methanol. Concentrations were determined by spectrophotmetric analysis at Estimated Error: 274 nm. Temperature: 0.15 K. x1:2% (relative error). Source and Purity of Chemicals: (1) 99%, Fluka Chemical Company, was used as received. (2) 99.5%, Merck Chemical Company, Germany. No purification details were provided in the paper.
Estimated Error: Temperature: 0.2 K. x1: 2% (relative error).
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10.8. Naphthalene solubility data in ketones Experimental Values
a b T/K x2 x1 Components: Original Measurements: 53 297.17 0.7894 0.2106 (1) Naphthalene; C10H8; [91-20-3] Q.-S. Li, Z.-M. Yi, M.-G. Su, 298.11 0.7815 0.2185 (2) Propanone; C3H6O; [67-64-1] and X.-F. Sun, J. Chem. Eng. Data 53, 2701 (2008). 300.23 0.7671 0.2329 301.55 0.7540 0.2460 Variables: Prepared by: 303.47 0.7411 0.2589 Temperature W. E. Acree, Jr. 305.14 0.7276 0.2724 306.63 0.7154 0.2846 307.76 0.7028 0.2972 Experimental Values 309.37 0.6899 0.3101 311.03 0.6770 0.3230 312.03 0.6654 0.3346 T x a x b /K 2 1 312.97 0.6532 0.3468 278.15 0.8763 0.1237 314.37 0.6392 0.3608 283.15 0.8567 0.1433 315.74 0.6238 0.3762 288.05 0.8293 0.1707 317.26 0.6058 0.3942 293.25 0.8059 0.1941 319.06 0.5846 0.4154 298.15 0.7740 0.2260 320.87 0.5603 0.4397 303.00 0.7319 0.2681 322.70 0.5414 0.4586 a 308.10 0.6927 0.3073 x2: mole fraction of component 2 in the saturated solution. b 313.05 0.6394 0.3606 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 318.15 0.5825 0.4175 323.05 0.5229 0.4771 a x2: mole fraction of component 2 in the saturated solution. bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 Auxiliary Information Method/Apparatus/Procedure: Double-jacketed glass vessel, laser generator, water bath, photoelectric transformer, and digital display. Auxiliary Information Solubilities were determined by a synthetic-dynamic method. Known masses Method/Apparatus/Procedure: of solute and solvent were placed in a dissolving flask. The solid in the solution Double-jacketed glass vessel, laser generator, water bath, photoelectric dissolved as the temperature was increased. The temperature at which the last transformer, and digital display. amount of solid dissolved was recorded as the solid-liquid equilibrium Solubilities were determined by a synthetic-dynamic method. Known masses temperature. The disappearance of the solid solute was determined by laser of solute and solvent were placed in the inner chamber of a double-jacketed monitoring. glass vessel. The vessel was maintained at a constant temperature by circulating water from a water bath equipped with a thermoelectric controller. Source and Purity of Chemicals: The solute and solvent mixture was stirred with a magnetic stirrer. 1–3 mg of (1) Initial purity not given, Tianjin Kermel Chemical Reagent Purchase and solute were added at predetermined intervals until no more solid would Supply Station, China, was dissolved in acetone, filtered and the acetone dissolve. Disappearance of the added solute was observed visually and with evaporated. The sample was then recrystallized several times from methanol. laser monitoring. The purity of the recrystallized sample was 99.8% as determined by UV spectrometry. Source and Purity of Chemicals: (2) 99.5%, Tianjin Kermel Chemical Reagent Company, Ltd, China, no (1) 99%, Tianjin Kermel Chemical Reagent, China, was used as received. information given regarding any further purification. (2) Research Grade, Shanghai Chemical Reagent, China, was used as received. Estimated Error: Estimated Error: Temperature: 0.2 K. x Temperature: 0.1 K. 1: 0.7% (relative error). x1: 1.0% (relative error).
Components: Original Measurements: 58 Components: Original Measurements: (1) Naphthalene; C10H8; [91-20-3] U. S. Rai and R. N. Rai, Asian J. 52 (1) Naphthalene; C10H8; [91-20-3] T.-B. Cui, T.-L. Luo, C. Zhang, (2) 1,2-Diphenyl-1,2-ethanedione; Chem. 10, 421 (1998). (2) Propanone; C3H6O; [67-64-1] Z.-B. Mao, and G.-J. Liu, J. Chem. C14H10O2; [134-81-6] Eng. Data 54, 1065 (2009). Variables: Prepared by: Variables: Prepared by: Temperature W. E. Acree, Jr. Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Experimental Values Auxiliary Information The binary phase diagram was graphically depicted in the Method/Apparatus/Procedure: paper. The phase diagram showed formation of a simple Double-jacketed glass vessel, laser generator, water bath, photoelectric eutectic at T/K ¼ 372 and a mole fraction composition of transformer, and digital display. x ¼ Solubilities were determined by a synthetic-dynamic method. Known masses naphthalene of 1 0.592. of solute and solvent were placed in the inner chamber of a double-jacketed glass vessel. The vessel was maintained at a constant temperature by Auxiliary Information circulating water from a water bath equipped with a thermoelectric controller. The solute and solvent mixture was stirred with a magnetic stirrer. 1–3 mg of Method/Apparatus/Procedure: solute were added at predetermined intervals until no more solid would Melting-point apparatus equipped with a precision thermometer. dissolve. Disappearance of the added solute was observed visually and with The phase diagram was determined by the thaw-melt method. Binary mixtures laser monitoring. of the two components were prepared by mass, placed in a test tube, and homogenized by repeated melting and thawing. The melting point and thawing Source and Purity of Chemicals: temperature for the phase diagram was determined using a melting point (1) 99%, Tianjin Kermel Chemical Reagent, China, was used as received. apparatus equipped with a precision thermometer. (2) Research Grade, Shanghai Chemical Reagent, China, was used as received.
Source and Purity of Chemicals: Estimated Error: (1) Purity not given, Fluka Chemicals, purified by sublimation followed by Temperature: 0.1 K. recrystallization from cyclohexane. x : 1.0% (relative error). (2) Purity not given, CDH, China, was purified by repeated recrystallization 1 from ethyl ethanoate.
Estimated Error: Temperature: 0.5 K. Components: Original Measurements: (1) Naphthalene; C H ; [91-20-3] 53Q.-S. Li, Z.-M. Yi, M.-G. Su, x1: 0.005 (estimated by compiler). 10 8 (2) 1-Methyl-2-pyrrolidone; C5H9NO; and X.-F. Sun, J. Chem. Eng. Data [872-50-4] 53, 2701 (2008). Variables: Prepared by: 10.9. Naphthalene solubility data in miscellaneous Temperature W. E. Acree, Jr. organic solvents Experimental Values
Components: Original Measurements: 53 a b (1) Naphthalene; C10H8; [91-20-3] Q.-S. Li, Z.-M. Yi, M.-G. Su, T/K x2 x1 (2) N,N-Dimethylformamide; C H NO; and X.-F. Sun, J. Chem. Eng. Data 3 7 278.18 0.7315 0.2685 [111-84-2] 53, 2701 (2008). 283.25 0.7107 0.2893 Variables: Prepared by: 288.17 0.6927 0.3073 Temperature W. E. Acree, Jr. 293.20 0.6642 0.3358 298.16 0.6215 0.3785 303.21 0.5899 0.4101 Experimental Values 308.17 0.5617 0.4383 313.16 0.5136 0.4864 318.21 0.4654 0.5346 a b T/K x2 x1 323.27 0.4233 0.5767 a 278.05 0.8385 0.1615 x2: mole fraction of component 2 in the saturated solution. b 283.05 0.8148 0.1852 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 288.15 0.7850 0.2150 292.75 0.7556 0.2444 298.05 0.7186 0.2814 303.25 0.6929 0.3071 307.95 0.6461 0.3539 Auxiliary Information 313.15 0.5941 0.4059 Method/Apparatus/Procedure: 318.15 0.5351 0.4649 Double-jacketed glass vessel, laser generator, water bath, photoelectric a x2: mole fraction of component 2 in the saturated solution. transformer, and digital display. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Solubilities were determined by a synthetic-dynamic method. Known masses of solute and solvent were placed in the inner chamber of a double-jacketed glass vessel. The vessel was maintained at a constant temperature by circulating water from a water bath equipped with a thermoelectric controller. The solute and solvent mixture was stirred with a magnetic stirrer. 1–3 mg of solute were added at predetermined intervals until no more solid would dissolve. Disappearance of the added solute was observed visually and with laser monitoring.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-131
Source and Purity of Chemicals: methyl-1-butanol, 1-hexanol, 2-methyl-1-pentanol, 1-hepta- (1) 99%, Tianjin Kermel Chemical Reagent, China, was used as received. (2) Research Grade, Shanghai Chemical Reagent, China, was used as received. nol, 1-octanol, 2-ethyl-1-hexanol, 1,2-ethanediol, and 2,2,2- trifluoroethanol), in five secondary alkanols (2-propanol, 2- Estimated Error: butanol, 2-pentanol, 4-methyl-2-pentanol, and cyclopentanol) Temperature: 0.1 K. and one tertiary alkanol (2-methyl-2-butanol), in two alka- x 1: 1.0% (relative error). nones (butanone, cyclohexanone), and in three miscellaneous organic solvents (ethanenitrile, propanenitrile, and butaneni- trile). For the majority of the solvents studied by Acree and 11. Solubility of Phenanthrene in Organic coworkers there is only the single experimental value, and it is Solvents not possible to perform a critical evaluation on most of the published data. 11.1. Critical evaluation of experimental There do exist independent solubility measurements for solubility data phenanthrene dissolved in 2,2,4-trimethylpentane and in sev- et al.34 3 eral of the smaller alkanols. Shayanfar measured the Volume 59 in the IUPAC Solubility Data Series contained solubility of phenanthrene in binary 2,2,4-trimethylpentane experimental solubility data for phenanthrene dissolved in and ethanol mixtures at 298.2, 308.2, and 318.2 K. The authors four linear alkanes (hexane, heptane, octane, and octadecane) measured mole fraction solubilities at 298.2 K in 2,2,4-tri- and two cycloalkanes (cyclohexane and decahydronaphtha- methylpentane (x1 ¼ 0.0246) and ethanol (x1 ¼ 0.0119) were lene), in three aromatic hydrocarbons (benzene, methylben- in reasonably good agreement with the earlier published values zene, and 1,2,3,4-tetrahydronaphthalene), in three of x1 ¼ 0.002486 for 2,2,4-trimethylpentane and x1 halogenated alkanes (tetrachloromethane, 1-hydroperfluoro- ¼ 0.001114 for ethanol determined by Hernández et al.61 heptane, and 1,8-dihydroperfluorooctane), in two alkanols Since only three temperatures were studied by Shayanfar (methanol and 1-octanol), and in five miscellaneous organic et al.,34 it is not feasible to use the three-parameter Apelblat solvents (pyridine, thiophene, perfluorotributylamine, nitro- equation to assess the internal consistency of the authors’ benzene, and carbon disulfide). The volume also experimental data since the equation would yield essentially a included phase diagram information for binary phenanthrene perfect fit. There is one additional independent experimental + biphenyl, phenanthrene + fluoranthene, phenanthrene + measurement for the solubility of phenanthrene in ethanol. acenaphthene, phenanthrene + 1,4-dibromobenzene, phenan- Fakhree et al.62,63 measured the solubilities of phenanthrene in threne + 1,4-dibromobenzene, phenanthrene + octafluoro- binary and ternary mixtures of C1–C4 alcohols. The measured naphthalene, phenanthrene + 1,2-dinitrobenzene, mole fraction solubilities compare favorably with the values phenanthrene + 1,3-dinitrobenzene, phenanthrene + 1,4-dini- determined by Acree and co-workers,17,62 namely, x trobenzene, phenanthrene + 1,3,5-trinitrobenzene, phenan- 1 ¼ 0.00549 versus x1 ¼ 0.00589 for methanol, x1 ¼ 0.0108 threne + 1,2,3,5-tetranitrobenzene, phenanthrene + 2,4- versus x ¼ 0.01114 for ethanol, x ¼ 0.0132 versus x dinitromethylbenzene, phenanthrene + 2,6-dinitromethylben- 1 1 1 ¼ 0.01355 for 1-propanol, and x1 ¼ 0.0178 versus x1 zene, phenanthrene + 3,4-dinitromethylbenzene, phenan- ¼ 0.01771 for 1-butanol. threne + 2,4,6-trinitromethylbenzene, phenanthrene + 2,4- Lisicki and Jamro´z35 reported solid-liquid equilibria data dinitrophenol, phenanthrene + 1-chloro-4-nitrobenzene, for binary mixtures containing phenanthrene with N,N- phenanthrene + dibenzothiophene, phenanthrene + thian- dimethylacetamide, 1-methyl-2-pyrrolidone, and hexahydro- trans threne, phenanthrene + benzoic acid, phenanthrene + - 1-methyl-2H-azepin-2-one (also called N-methyl-ε-caprolac- cinnamic acid, phenanthrene + 2-hydroxybenzoic acid, phe- tam). The phenanthrene + N,N-dimethylformamide and phe- nanthrene + 3-hydroxybenzoic acid, and phenanthrene + 6- nanthrene + 1-methyl-2-pyrrolidone systems both exhibited methyl-2,3,4-trinitrophenol mixtures. Solubility data con- simple eutectic behavior. The published experimental liquidus tained in Vol. 59 will not be republished here. The listing curves for the latter three phenanthrene systems did not above is provided so that readers will know what solubility indicate any outlier data points. data are available in the earlier volume for phenanthrene. The experimental solubility data for phenanthrene dissolved After Vol. 59 appeared in print, there have been several in the different organic solvents are given in Secs. 11.2–11.9. experimental solubility studies involving phenanthrene in organic solvents. Acree and co-workers17,62 measured the solubility of anthracene in eight linear alkanes (hexane, 11.2. Phenanthrene solubility data in saturated heptane, octane, nonane, decane, undecane, dodecane, and hydrocarbons (including cycloalkanes) hexadecane), four cycloalkanes (cyclohexane, methylcyclo- hexane, cyclooctane, and tert-butylcyclohexane) and one Components: Original Measurements: branched alkane (2,2,4-trimethylpentane), in two alkyl (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, L. alkanoates (ethyl ethanoate and butyl ethanoate), in one 14 10 (2) Hexane; C6H14; [110-54-3] E. Roy, T. L. Sharp, and W. E. Acree, dialkyl ether (1,1′-oxybisbutane) and two cyclic ethers (tetra- Jr., Can. J. Chem. 77, 1465 (1999). hydrofuran and 1,4-dioxane), in one chloroalkane (tetrachlor- Variables: Prepared by: omethane), in 14 primary alkanols (methanol, ethanol, 1- T/K ¼ 298.15 W. E. Acree, Jr. propanol, 1-butanol, 2-methyl-1-propanol, 1-pentanol, 3-
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves x2 x2 x1 before use. 1.0000 0.9681 0.03189 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 61 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, L. visible spectrophotometer. (2) Octane; C8H18; [111-65-9] E. Roy, T. L. Sharp, and W. E. Acree, Excess solute and solvent were placed in amber glass bottles and allowed to Jr., Can. J. Chem. 77, 1465 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9556 0.04443 recrystallized several times from methanol. ax (s) (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. cx Estimated Error: 1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 61 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, L. visible spectrophotometer. (2) Heptane; C7H16; [142-82-5] E. Roy, T. L. Sharp, and W. E. Acree, Jr., Can. J. Chem. 77, 1465 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: x (s)a x b x c 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9611 0.03888 recrystallized several times from methanol. a (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 61 visible spectrophotometer. (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, L. Excess solute and solvent were placed in amber glass bottles and allowed to (2) Nonane; C9H20; [111-84-2] E. Roy, T. L. Sharp, and W. E. Acree, equilibrate for several days at constant temperature. Attainment of equilibrium Jr., Can. J. Chem. 77, 1465 (1999). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-133
Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves x2 x2 x1 before use. 1.0000 0.9522 0.04785 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 17 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Phenanthrene; C14H10; [85-01-8] M. H. Abraham and W. E. visible spectrophotometer. (2) Undecane; C11H24; [1120-21-4] Acree, Jr., New J. Chem. 28, 1538 Excess solute and solvent were placed in amber glass bottles and allowed to (2004). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9402 0.05980 recrystallized several times from methanol. ax (s) (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves 2 : initial mole fraction of component 2 in the solution. bx before use. 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x 1: 1.5% (relative error). Experimental values were reported as the logarithm of the solute’s molar solubility in undecane divided by the molar solubility in water. Mole fraction solubilities were provided by Components: Original Measurements: the authors of the paper. 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, L. (2) Decane; C10H22; [124-18-5] E. Roy, T. L. Sharp, and W. E. Acree, Auxiliary Information Jr., Can. J. Chem. 77, 1465 (1999). Method/Apparatus/Procedure: Variables: Prepared by: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T/K ¼ 298.15 W. E. Acree, Jr. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Experimental Values was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and (s)a b c x2 x2 x1 diluted with methanol. Concentrations were determined by 1.0000 0.9447 0.05531 spectrophotometric measurements at 347 nm. ax (s) 2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: bx 2: mole fraction of component 2 in the saturated solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was cx 1: mole fraction solubility of the solute. recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K. Auxiliary Information x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-134 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 17 (1) Phenanthrene; C14H10; [85-01-8] M. H. Abraham and W. E. Method/Apparatus/Procedure: (2) Dodecane; C12H26; [112-40-3] Acree, Jr., New J. Chem. 28, 1538 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2004). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9365 0.06348 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Experimental values were reported as the logarithm of the Temperature: 0.1 K. x : 1.5% (relative error). solute’s molar solubility in dodecane divided by the molar 1 solubility in water. Mole fraction solubilities were provided by the authors of the paper. Components: Original Measurements: Auxiliary Information 15 (1) Phenanthrene; C14H10; [85-01-8] A. Aoulmi, M. Bouroukba, R. Method/Apparatus/Procedure: (2) Octacosane; C28H58; [630-02-4] Solimando, and M. Rogalski, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Fluid Phase Equilib. 110, 283 visible spectrophotometer. (1995). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. a b T/K x2 x1 Source and Purity of Chemicals: 333.91 1.0000 0.0000 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 333.81 0.8969 0.1031 recrystallized several times from methanol. 333.22 0.8004 0.1996 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 331.26 0.6915 0.3085 341.01 0.5001 0.4999 Estimated Error: 344.75 0.4485 0.5515 Temperature: 0.1 K. 350.95 0.4004 0.5996 x : 1.5% (relative error). 1 360.10 0.2801 0.7199 364.14 0.2000 0.8000 367.60 0.1002 0.8998 371.35 0.0000 1.0000 Components: Original Measurements: ax 61 2: mole fraction of component 2 in the saturated solution. (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (2) Hexadecane; C16H34; [544-76-3] L. E. Roy, T. L. Sharp, and W. E. Acree, Jr., Can. J. Chem. 77, 1465 (1999). The authors employed a SSF to describe the activity coeffi- Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. cients of phenanthrene and octacosane calculated from the solid-liquid equilibrium data. The SSF model gave a calcu- lated eutectic temperature of T/K ¼ 329.0 and eutectic mole Experimental Values fraction of phenanthrene of x1 ¼ 0.420.
(s)a b c x2 x2 x1 1.0000 0.9203 0.07972 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-135
Auxiliary Information Components: Original Measurements: 61 Method/Apparatus/Procedure: (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Differential scanning calorimeter. (2) Methylcyclohexane; C7H14; L. E. Roy, T. L. Sharp, and W. E. The phase diagram was determined using a differential scanning calorimeter. [108-87-2] Acree, Jr., Can. J. Chem. 77, 1465 Measurements were performed at a constant fixed scanning rate of 0.5 K/min. (1999). Variables: Prepared by: Source and Purity of Chemicals: T/K ¼ 298.15 W. E. Acree, Jr. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, no purification details were given in the paper. (2) 99%, Aldrich Chemical Company, purification details were not given in the Experimental Values paper.
Estimated Error: x (s)a x b x c Temperature: Authors state a global accuracy of 1% regarding their 2 2 1 measurements. 1.0000 0.9543 0.04572 x a (s) 1: 0.0002 (estimated by compiler). x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, (2) Cyclohexane; C H ; [110-82-7] L. E. Roy, T. L. Sharp, and W. E. 6 12 Auxiliary Information Acree, Jr., Can. J. Chem. 77, 1465 (1999). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and x (s)a x b x c diluted with methanol. Concentrations were determined by 2 2 1 spectrophotometric measurements at 347 nm. 1.0000 0.9635 0.03648 a (s) x2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: b x2: mole fraction of component 2 in the saturated solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was c x1: mole fraction solubility of the solute. recrystallized several times from methanol. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x : 1.5% (relative error). Method/Apparatus/Procedure: 1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: 61 was verified by several repetitive measurements and by approaching (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, equilibrium from supersaturation. Aliquots of saturated solutions were (2) Cyclooctane; C8H16; [292-64-8] L. E. Roy, T. L. Sharp, and W. E. transferred through a coarse filter into tared volumetric flasks, weighed and Acree, Jr., Can. J. Chem. 77, 1465 diluted with methanol. Concentrations were determined by (1999). spectrophotometric measurements at 347 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves before use. x (s)a x b x c Estimated Error: 2 2 1 Temperature: 0.1 K. 1.0000 0.9400 0.06002 x a (s) 1: 1.5% (relative error). x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-136 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 34 Method/Apparatus/Procedure: (1) Phenanthrene; C14H10; [85-01-8] A. Shayanfar, S. H. Eghrary, F. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2,2,4-Trimethylpentane; C8H18; Sardari, W. E. Acree, Jr., and A. visible spectrophotometer. [540-84-1] Jouyban, J. Chem. Eng. Data 56, Excess solute and solvent were placed in amber glass bottles and allowed to 2290 (2011). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching Temperature W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: T/K x a x b (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 1 recrystallized several times from methanol. 298.2 0.9754 0.0246 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before 308.2 0.9622 0.0378 use. 318.2 0.9516 0.0484 a x2: mole fraction of component 2 in the saturated solution. b Estimated Error: x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Incubator, shaker, and an ultraviolet/visible spectrophotometer. (2) 2,2,4-Trimethylpentane; C8H18; L. E. Roy, T. L. Sharp, and W. E. Solubility was determined by equilibrating an excess amount of solid [540-84-1] Acree, Jr., Can. J. Chem. 77, 1465 naphthalene with the organic solvent using a shaker placed in an incubator (1999). equipped with a temperature controlling system. After an equilibration period of at least 48 h, the samples were withdrawn and filtered through hydrophobic Variables: Prepared by: Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with T/K ¼ 298.15 W. E. Acree, Jr. methanol. Concentrations were determined by spectrophotmetric analysis at 356 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Merck Chemicals, Germany, was recrystallized several times from x (s)a x b x c propanone before use. 2 2 1 (2) 99+%, Merck Chemicals, no information given regarding any further 1.0000 0.9751 0.02486 purification. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.2 K. x1: 2.5% (relative uncertainty).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, visible spectrophotometer. 14 10 (2) tert-Butylcyclohexane; C H ; L. E. Roy, T. L. Sharp, and W. E. Excess solute and solvent were placed in amber glass bottles and allowed to 10 20 [3178-22-1] Acree, Jr., Can. J. Chem. 77, 1465 equilibrate for several days at constant temperature. Attainment of equilibrium (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c recrystallized several times from methanol. x2 x2 x1 (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves 1.0000 0.9488 0.05124 before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-137
Auxiliary Information Auxiliary Information Method/Apparatus/Procedure: Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Simple thermal analysis device constructed in the authors’ laboratory, and a visible spectrophotometer. high precision platinum-resistance thermometer. Excess solute and solvent were placed in amber glass bottles and allowed to Phase diagram was determined using a simple thermal device. A sample of equilibrate for several days at constant temperature. Attainment of equilibrium known composition was placed in a thermostatted glass tube, melted and then was verified by several repetitive measurements and by approaching slowly cooled at a rate of about 1 K/min. The temperature of the sample was equilibrium from supersaturation. Aliquots of saturated solutions were measured with a high precision platinum-resistance thermometer. The transferred through a coarse filter into tared volumetric flasks, weighed and crystallization temperature was obtained from a plot of the cooling curve diluted with methanol. Concentrations were determined by versus time. Each measurement was repeated three times. spectrophotometric measurements at 347 nm. Source and Purity of Chemicals: Source and Purity of Chemicals: (1) 98+%, Aldrich Chemical Company, Milwaukee, WI, USA, no purification (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was details were given in the paper. recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, purification details were not given in the (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before paper. use. Estimated Error: Estimated Error: Temperature: Authors state a global accuracy of 1% regarding their Temperature: 0.1 K. measurements. x1: 1.5% (relative error). x1: 0.0002 (estimated by compiler).
Components: Original Measurements: 11.3. Phenanthrene solubility data in aromatic 15 (1) Phenanthrene; C14H10; [85-01-8] A. Aoulmi, M. Bouroukba, R. hydrocarbons (2) Squalane; C30H62; [111-01-3] Solimando, and M. Rogalski, Fluid Phase Equilib. 110, 283 (1995).
Variables: Prepared by: Components: Original Measurements: Temperature W. E. Acree, Jr. 64 (1) Phenanthrene; C14H10; [85-01-8] Y. Bakhbakhi, P. Charpentier, (2) Methylbenzene; C7H8; [108-88-3] and S. Rohani, Can. J. Chem. Eng. 83, 267 (2005). Experimental Values Variables: Prepared by: Temperature W. E. Acree, Jr. a b T/K x2 x1 331.65 0.6984 0.3016 Experimental Values 343.15 0.5953 0.4047 353.15 0.4803 0.5197 356.55 0.4463 0.5537 T/K x a,b x b,c 359.25 0.3967 0.6033 2 1 360.75 0.3501 0.6499 298.15 0.8099 0.1901 362.55 0.2939 0.7061 303.15 0.7821 0.2179 363.95 0.2497 0.7503 308.15 0.7514 0.2486 365.15 0.2021 0.7979 313.15 0.7185 0.2815 366.35 0.1540 0.8460 318.15 0.6798 0.3202 367.65 0.0988 0.9012 323.15 0.6406 0.3594 369.15 0.0507 0.9493 328.15 0.5964 0.4036 a 333.15 0.5520 0.4480 x2: mole fraction of component 2 in the saturated solution. b 338.15 0.5033 0.4967 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). a x2: mole fraction of component 2 in the saturated solution. bExperimental values based on ATR-FTIR method. cx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). The authors employed a SSF to describe the activity coeffi- 1 cients of phenanthrene and squalane calculated from the solid- liquid equilibrium data. The SSF model gave a calculated Solubilities were reported in the paper as the grams of T ¼ eutectic temperature of /K 233.8 and eutectic mole fraction phenanthrene dissolved per 100 g of solvent. Mole fraction x ¼ of phenanthrene of 1 0.03. solubilities were calculated by the compiler.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-138 WILLIAM E. ACREE, JR.
Experimental Values Experimental Values
a,b b,c a b T/K x2 x1 T/K x1 x2 298.15 0.8029 0.1971 373.0 1.0 0.0 303.15 0.7953 0.2047 364.0 0.9 0.1 308.15 0.7627 0.2373 356.0 0.8 0.2 313.15 0.7293 0.2707 348.0 0.7 0.3 318.15 0.6846 0.3154 339.0 0.6 0.4 323.15 0.6499 0.3501 329.0 0.5 0.5 328.15 0.5988 0.4012 326.0 0.4 0.6 333.15 0.5587 0.4413 334.0 0.3 0.7 338.15 0.5033 0.4967 340.0 0.2 0.8 a 346.5 0.1 0.9 x2: mole fraction of component 2 in the saturated solution. bExperimental values based on gravimetric method. 353.0 0.0 1.0 c a x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). x1: mole fraction of the component 1 in the saturated solution. b x2: mole fraction of component 2 in the saturated solution.
Solubilities were reported in the paper as the grams of phenanthrene dissolved per 100 g of solvent. Mole fraction solubilities were calculated by the compiler. Auxiliary Information Method/Apparatus/Procedure: Auxiliary Information The only experimental details provided in the paper was a statement by the authors that the solidus-liquid equilibrium data were obtained by the thaw- Method/Apparatus/Procedure: point melting technique. Three-neck glass vessel, attenuated total reflectance FTIR spectrophotometer; regular diamond immersion probe, temperature controller. Source and Purity of Chemicals: Solubilities were determined by a synthetic-undersaturation method. Known (1) Analytical Reagent Grade, Fluka Chemicals, was purified by repeated masses of solute and solvent were placed in a three-neck glass vessel. Once recrystallizations from ethyl ethanoate. equilibrium is achieved a steady-stated ATR-FTIR reading is recorded. An (2) Laboratory Reagent Grade, Riedel Chemicals, was purified by sublimation. additional known mass of phenanthrene is added to the solution. Once equilibrium is achieved, a new steady-state ATR-FTIR reading is recorded and Estimated Error: compared to the previous reading. As long as there is no change in FTIR Temperature: 0.5 K (estimated by compiler). reading, the measurement is taken as the solubility of phenanthrene at the x : 0.05 (estimated by compiler). solution temperature. If the reading has changed, additional phenanthrene is 1 added until a saturated solution is obtained. The authors checked the method by performing phenanthrene solubility measurements using a gravimetric method. The solubilities determined using the gravimetric and ATR-FTIR methods were in good agreement. 11.4. Phenanthrene solubility data in esters
Source and Purity of Chemicals: (1) 98%, Sigma-Aldrich Chemical Company, USA, no further purification Components: Original Measurements: details were provided in the paper. 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De (2) Analytical Grade, Sigma-Aldrich Chemical Company, USA, no further (2) Ethyl ethanoate; C4H8O2; [141-78-6] Fina, L. E. Roy, T. L. Sharp, purification details were provided in the paper. and W. E. Acree, Jr., Can. J. Chem. 77, 1465 (1999). Estimated Error: Temperature: 0.1 K (estimated by compiler). Variables: Prepared by: T ¼ x1:2% (relative error, estimated by compiler). /K 298.15 W. E. Acree, Jr.
Experimental Values Components: Original Measurements: 56 (1) Phenanthrene; C14H10; [85-01-8] B. L. Sharma, R. Kant, R. (s)a b c x2 x2 x1 (2) Naphthalene; C10H8; [91-20-3] Sharma, and S. Tandon, Mater. Chem. Phys. 82, 216 (2003). 1.0000 0.8501 0.1499 a (s) x2 : initial mole fraction of component 2 in the solution. Variables: Prepared by: b x2: mole fraction of component 2 in the saturated solution. Temperature W. E. Acree, Jr. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-139
Auxiliary Information 11.5. Phenanthrene solubility data in ethers Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, equilibrate for several days at constant temperature. Attainment of equilibrium (2); 1,1′-Oxybisbutane; C8H18O; L. E. Roy, T. L. Sharp, and W. E. was verified by several repetitive measurements and by approaching [142-96-1] Acree, Jr., Can. J. Chem. 77, 1465 equilibrium from supersaturation. Aliquots of saturated solutions were (1999). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Variables: Prepared by: T ¼ spectrophotometric measurements at 347 nm. /K 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99.9%, HPLC Grade, Aldrich Chemical Company, stored over molecular x (s)a x b x c sieves before use. 2 2 1 1.0000 0.9055 0.09454 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. b x2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 61 Method/Apparatus/Procedure: (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Butyl ethanoate; C6H12O2; [123-86-4] Fina, L. E. Roy, T. L. Sharp, and W. E. Acree, Jr., Can. J. visible spectrophotometer. Chem. 77, 1465 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T ¼ /K 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: x (s)a x b x c 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.8188 0.1812 recrystallized several times from methanol. a (s) (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, L. Excess solute and solvent were placed in amber glass bottles and allowed to (2) Tetrahydrofuran; C4H8O; E. Roy, T. L. Sharp, and W. E. Acree, equilibrate for several days at constant temperature. Attainment of equilibrium [109-99-9] Jr., Can. J. Chem. 77, 1465 (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: T ¼ transferred through a coarse filter into tared volumetric flasks, weighed and /K 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99.8%, HPLC Grade, Aldrich Chemical Company, stored over molecular 1.0000 0.7116 0.2884 sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-140 WILLIAM E. ACREE, JR.
Auxiliary Information 11.6. Phenanthrene solubility data in haloalkanes, Method/Apparatus/Procedure: haloalkenes, and haloaromatic hydrocarbons Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, L. was verified by several repetitive measurements and by approaching 14 10 (2) Tetrachloromethane; CCl ; E. Roy, T. L. Sharp, and W. E. Acree, equilibrium from supersaturation. Aliquots of saturated solutions were 4 [56-23-5] Jr., Can. J. Chem. 77, 1465 (1999). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 347 nm. T/K ¼ 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99.9%, Aldrich Chemical Company, stored over molecular sieves before (s)a b c use. x2 x2 x1 1.0000 0.8738 0.1262 Estimated Error: ax (s): initial mole fraction of component 2 in the solution. Temperature: 0.1 K. 2 bx x 2: mole fraction of component 2 in the saturated solution. 1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Components: Original Measurements: 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Auxiliary Information (2) 1,4-Dioxane; C H O ; [123-91-1] L. E. Roy, T. L. Sharp, and W. E. 4 8 2 Method/Apparatus/Procedure: Acree, Jr., Can. J. Chem. 77, 1465 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1999). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. (s)a b c x2 x2 x1 1.0000 0.7835 0.2165 Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was ax (s) 2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. bx 2: mole fraction of component 2 in the saturated solution. (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, stored over molecular cx 1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x : 1.5% (relative error). Method/Apparatus/Procedure: 1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium 11.7. Phenanthrene solubility data in alcohols was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Components: Original Measurements: diluted with methanol. Concentrations were determined by (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, L. spectrophotometric measurements at 347 nm. 14 10 (2) Methanol; CH4O; [67-56-1] E. Roy, T. L. Sharp, and W. E. Acree, Jr., Can. J. Chem. 77, 1465 (1999). Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Variables: Prepared by: recrystallized several times from methanol. T/K ¼ 298.15 W. E. Acree, Jr. (2) 99.8%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-141
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Incubator, shaker, and an ultraviolet/visible spectrophotometer. x (s)a x b x c 2 2 1 Solubility was determined by equilibrating an excess amount of solid 1.0000 0.9941 0.00589 naphthalene with the organic solvent using a shaker placed in an incubator a (s) equipped with a temperature controlling system. After an equilibration period x2 : initial mole fraction of component 2 in the solution. b of at least 48 h, the samples were withdrawn and filtered through hydrophobic x2: mole fraction of component 2 in the saturated solution. c Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with x1: mole fraction solubility of the solute. methanol. Concentrations were determined by spectrophotmetric analysis at 345 nm.
Source and Purity of Chemicals: Auxiliary Information (1) 99%, Merck Chemical Company, Germany, was recrystallized several times from propanone. Method/Apparatus/Procedure: (2) 99.5%, Merck Chemical Company. No purification details were provided Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ in the paper. Water content was checked by Karl Fischer titration and found to visible spectrophotometer. be 0.04% by mass. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Estimated Error: was verified by several repetitive measurements and by approaching Temperature: 0.2 K. equilibrium from supersaturation. Aliquots of saturated solutions were x : 4.2% (relative error). transferred through a coarse filter into tared volumetric flasks, weighed and 1 diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: Components: Original Measurements: 61 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, L. recrystallized several times from methanol. (2) Ethanol; C2H6O; [64-17-5] E. Roy, T. L. Sharp, and W. E. Acree, (2) 99.9%, Aldrich Chemical Company, stored over molecular sieves before Jr., Can. J. Chem. 77, 1465 (1999). use. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Estimated Error: Temperature: 0.1 K. x 1: 1.5% (relative error). Experimental Values
(s)a b c x2 x2 x1 Components: Original Measurements: 1.0000 0.9889 0.01114 62 (1) Phenanthrene; C14H10; [85-01-8] M. A. A. Fakhree, W. E. Acree, a (s) x2 : initial mole fraction of component 2 in the solution. (2) Methanol; CH4O; [67-56-1] Jr., and A. Jouyban, J. Chem. Eng. b x2: mole fraction of component 2 in the saturated solution. Data 55, 531 (2010). c x1: mole fraction solubility of the solute. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Auxiliary Information Experimental Values Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. a b c c1 x2 x1 Excess solute and solvent were placed in amber glass bottles and allowed to 0.133 0.9945 0.00549 equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching ac 1: molar solubility of the solute. equilibrium from supersaturation. Aliquots of saturated solutions were bx 2: mole fraction of component 2 in the saturated solution. transferred through a coarse filter into tared volumetric flasks, weighed and cx 1: mole fraction solubility of the solute. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm.
The mole fraction solubility of the solute was calculated by Source and Purity of Chemicals: the compiler using the experimental density data given in the (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. paper. (2) Absolute, Aaper Alcohol and Chemical Company, USA, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-142 WILLIAM E. ACREE, JR.
Components: Original Measurements: The mole fraction solubility of the solute was calculated by 34 (1) Phenanthrene; C14H10; [85-01-8] A. Shayanfar, S. H. Eghrary, F. the compiler using the experimental density data given in the (2) Ethanol; C2H6O; [64-17-5] Sardari, W. E. Acree, Jr., and A. paper. Jouyban, J. Chem. Eng. Data 56, 2290 (2011). Auxiliary Information Variables: Prepared by: / / Temperature W. E. Acree, Jr. Method Apparatus Procedure: Incubator, shaker, and an ultraviolet/visible spectrophotometer. Solubility was determined by equilibrating an excess amount of solid Experimental Values naphthalene with the organic solvent using a shaker placed in an incubator equipped with a temperature controlling system. After an equilibration period of at least 48 h, the samples were withdrawn and filtered through hydrophobic a b Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with T/Kx2 x1 methanol. Concentrations were determined by spectrophotmetric analysis at 298.2 0.9881 0.0119 345 nm. 308.2 0.9841 0.0159 318.2 0.9810 0.0190 Source and Purity of Chemicals: a x2: mole fraction of the component 2 in the saturated solution. (1) 99%, Merck Chemical Company, Germany, was recrystallized several b x1: mole fraction of component 1 in the saturated solution. times from propanone. (2) 99.9%, Merck Chemical Company. No purification details were provided in the paper. Water content was checked by Karl Fischer titration and found to be 0.13% by mass.
Auxiliary Information Estimated Error: Method/Apparatus/Procedure: Temperature: 0.2 K. x Incubator, shaker, and an ultraviolet/visible spectrophotometer. 1: 4.2% (relative error). Solubility was determined by equilibrating an excess amount of solid naphthalene with the organic solvent using a shaker placed in an incubator equipped with a temperature controlling system. After an equilibration period of at least 48 h, the samples were withdrawn and filtered through hydrophobic Components: Original Measurements: μ 61 Durapore filters (0.45 m). The filtered sample was diluted quantitatively with (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, methanol. Concentrations were determined by spectrophotmetric analysis at (2) 1-Propanol; C3H8O; [71-23-8] L. E. Roy, T. L. Sharp, and W. E. 356 nm. Acree, Jr., Can. J. Chem. 77, 1465 (1999). Source and Purity of Chemicals: (1) 98%, Merck Chemicals, Germany, was recrystallized several times from Variables: Prepared by: T ¼ propanone before use. /K 298.15 W. E. Acree, Jr. (2) 99+%, Absolute, Merck Chemicals, no information given regarding any further purification. Experimental Values Estimated Error: Temperature: 0.2 K. (s)a b c x2 x2 x1 x1: 2.5% (relative uncertainty). 1.0000 0.9865 0.01355 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. cx Components: Original Measurements: 1: mole fraction solubility of the solute. 62 (1) Phenanthrene; C14H10; [85-01-8] M. A. A. Fakhree, W. E. Acree, (2) Ethanol; C2H6O; [64-17-5] Jr., and A. Jouyban, J. Chem. Eng. Data 55, 531 (2010). Auxiliary Information Variables: Prepared by: Method/Apparatus/Procedure: T/K ¼ 298.15 W. E. Acree, Jr. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Experimental Values equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were c a x b x c 1 2 1 transferred through a coarse filter into tared volumetric flasks, weighed and 0.182 0.9892 0.0108 diluted with methanol. Concentrations were determined by a spectrophotometric measurements at 347 nm. c1: molar solubility of the solute. bx : mole fraction of component 2 in the saturated solution. 2 Source and Purity of Chemicals: cx : mole fraction solubility of the solute. 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-143
Estimated Error: Experimental Values Temperature: 0.1 K. x1: 1.5% (relative error). (s)a b c x2 x2 x1 1.0000 0.9902 0.00977 a (s) x2 : initial mole fraction of component 2 in the solution. Components: Original Measurements: b 62 x2: mole fraction of component 2 in the saturated solution. (1) Phenanthrene; C14H10; [85-01-8] M. A. A. Fakhree, W. E. Acree, c x1: mole fraction solubility of the solute. (2) 1-Propanol; C3H8O; [71-23-8] Jr., and A. Jouyban, J. Chem. Eng. Data 55, 531 (2010).
Variables: Prepared by: Auxiliary Information T/K ¼ 298.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Experimental Values visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium a b c c1 x2 x1 was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were 0.174 0.9868 0.0132 transferred through a coarse filter into tared volumetric flasks, weighed and ac 1: molar solubility of the solute. diluted with methanol. Concentrations were determined by bx 2: mole fraction of component 2 in the saturated solution. spectrophotometric measurements at 347 nm. c x1: mole fraction solubility of the solute. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was The mole fraction solubility of the solute was calculated by recrystallized several times from methanol. the compiler using the experimental density data given in the (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use. paper. Estimated Error: Auxiliary Information Temperature: 0.1 K. x1: 1.5% (relative error). Method/Apparatus/Procedure: Incubator, shaker, and an ultraviolet/visible spectrophotometer. Solubility was determined by equilibrating an excess amount of solid naphthalene with the organic solvent using a shaker placed in an incubator equipped with a temperature controlling system. After an equilibration period Components: Original Measurements: 61 of at least 48 h, the samples were withdrawn and filtered through hydrophobic (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with (2) 1-Butanol; C4H10O; [71-36-3] L. E. Roy, T. L. Sharp, and W. E. methanol. Concentrations were determined by spectrophotmetric analysis at Acree, Jr., Can. J. Chem. 77, 1465 345 nm. (1999). Variables: Prepared by: Source and Purity of Chemicals: T/K ¼ 298.15 W. E. Acree, Jr. (1) 99%, Merck Chemical Company, Germany, was recrystallized several times from propanone. (2) 99.5%, Merck Chemical Company. No purification details were provided Experimental Values in the paper. Water content was checked by Karl Fischer titration and found to be 0.07% by mass. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.9823 0.01771 Temperature: 0.2 K. ax (s) x1: 4.2% (relative error). 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, (2) 2-Propanol; C3H8O; [67-63-0] L. E. Roy, T. L. Sharp, and W. E. Auxiliary Information Acree, Jr., Can. J. Chem. 77, 1465 / / (1999). Method Apparatus Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-144 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Components: Original Measurements: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 61 recrystallized several times from methanol. (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, (2) 99.8%, HPLC Grade, Aldrich Chemical Company, stored over molecular (2) 2-Butanol; C4H10O; [78-92-2] L. E. Roy, T. L. Sharp, and W. E. sieves before use. Acree, Jr., Can. J. Chem. 77, 1465 (1999). Estimated Error: Variables: Prepared by: Temperature: 0.1 K. T/K ¼ 298.15 W. E. Acree, Jr. x1: 1.5% (relative error).
Experimental Values
Components: Original Measurements: 62 x (s)a x b x c (1) Phenanthrene; C14H10; [85-01-8] M. A. A. Fakhree, W. E. Acree, 2 2 1 (2) 1-Butanol; C4H10O; [71-36-3] Jr., and A. Jouyban, J. Chem. Eng. 1.0000 0.9882 0.01178 Data 55, 531 (2010). a (s) x2 : initial mole fraction of component 2 in the solution. bx Variables: Prepared by: 2: mole fraction of component 2 in the saturated solution. cx T/K ¼ 298.15 W. E. Acree, Jr. 1: mole fraction solubility of the solute.
Experimental Values
Auxiliary Information c a x b x c 1 2 1 Method/Apparatus/Procedure: 0.194 0.9822 0.0178 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. ac : molar solubility of the solute. 1 Excess solute and solvent were placed in amber glass bottles and allowed to bx : mole fraction of component 2 in the saturated solution. 2 equilibrate for several days at constant temperature. Attainment of equilibrium cx : mole fraction solubility of the solute. 1 was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and The mole fraction solubility of the solute was calculated by diluted with methanol. Concentrations were determined by the compiler using the experimental density data given in the spectrophotometric measurements at 347 nm. paper. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Auxiliary Information recrystallized several times from methanol. Method/Apparatus/Procedure: (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before Incubator, shaker, and an ultraviolet/visible spectrophotometer. use. Solubility was determined by equilibrating an excess amount of solid naphthalene with the organic solvent using a shaker placed in an incubator Estimated Error: equipped with a temperature controlling system. After an equilibration period Temperature: 0.1 K. x of at least 48 h, the samples were withdrawn and filtered through hydrophobic 1: 1.5% (relative error). Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with methanol. Concentrations were determined by spectrophotmetric analysis at 345 nm. Components: Original Measurements: 61 Source and Purity of Chemicals: (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, (1) 99%, Merck Chemical Company, Germany, was recrystallized several (2) 2-Methyl-1-propanol; C4H10O; L. E. Roy, T. L. Sharp, and W. E. times from propanone. [78-83-1] Acree, Jr., Can. J. Chem. 77, 1465 (2) 99.5%, Merck Chemical Company. No purification details were provided (1999). in the paper. Water content was checked by Karl Fischer titration and found to Variables: Prepared by: be 0.40% by mass. T/K ¼ 298.15 W. E. Acree, Jr. Estimated Error: Temperature: 0.2 K. Experimental Values x1: 4.2% (relative error).
(s)a b c x2 x2 x1 1.0000 0.9898 0.01020 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-145
Auxiliary Information Components: Original Measurements: 61 Method/Apparatus/Procedure: (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Pentanol; C5H12O; [6032-29-7] L. E. Roy, T. L. Sharp, and W. E. visible spectrophotometer. Acree, Jr., Can. J. Chem. 77, 1465 Excess solute and solvent were placed in amber glass bottles and allowed to (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9824 0.01764 a (s) (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x2 : initial mole fraction of component 2 in the solution. b use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, visible spectrophotometer. (2) 1-Pentanol; C5H12O; [71-41-0] L. E. Roy, T. L. Sharp, and W. E. Excess solute and solvent were placed in amber glass bottles and allowed to Acree, Jr., Can. J. Chem. 77, 1465 equilibrate for several days at constant temperature. Attainment of equilibrium (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. 1.0000 0.9751 0.02491 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x x1: mole fraction solubility of the solute. 1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 14 10 (2) 3-Methyl-1-butanol; C H O; L. E. Roy, T. L. Sharp, and W. E. visible spectrophotometer. 5 12 [123-51-3] Acree, Jr., Can. J. Chem. 77, 1465 Excess solute and solvent were placed in amber glass bottles and allowed to (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values
Source and Purity of Chemicals: (s)a b c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9839 0.01606 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before a (s) x2 : initial mole fraction of component 2 in the solution. use. b x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. Estimated Error: 1 Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-146 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 61 Method/Apparatus/Procedure: (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Hexanol; C6H14O; [111-27-3] L. E. Roy, T. L. Sharp, and W. E. visible spectrophotometer. Acree, Jr., Can. J. Chem. 77, 1465 Excess solute and solvent were placed in amber glass bottles and allowed to (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9697 0.03028 a (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, visible spectrophotometer. (2) 2-Methyl-2-butanol; C5H12O; L. E. Roy, T. L. Sharp, and W. E. Excess solute and solvent were placed in amber glass bottles and allowed to [75-85-4] Acree, Jr., Can. J. Chem. 77, 1465 equilibrate for several days at constant temperature. Attainment of equilibrium (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. 1.0000 0.9807 0.01926 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x x1: mole fraction solubility of the solute. 1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 14 10 (2) 2-Methyl-1-pentanol; C H O; L. E. Roy, T. L. Sharp, and W. E. visible spectrophotometer. 6 14 [105-30-6] Acree, Jr., Can. J. Chem. 77, 1465 Excess solute and solvent were placed in amber glass bottles and allowed to (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values
Source and Purity of Chemicals: (s)a b c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9820 0.01801 (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-147
Auxiliary Information Components: Original Measurements: 61 Method/Apparatus/Procedure: (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Heptanol; C7H16O; [111-70-6] L. E. Roy, T. L. Sharp, and W. E. visible spectrophotometer. Acree, Jr., Can. J. Chem. 77, 1465 Excess solute and solvent were placed in amber glass bottles and allowed to (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9606 0.03937 a (s) (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 4-Methyl-2-pentanol; C6H14O; L. E. Roy, T. L. Sharp, and W. E. visible spectrophotometer. [108-11-2] Acree, Jr., Can. J. Chem. 77, 1465 Excess solute and solvent were placed in amber glass bottles and allowed to (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9825 0.01754 (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, visible spectrophotometer. 14 10 (2) 1-Octanol; C H O; [111-87-5] L. E. Roy, T. L. Sharp, and W. E. Excess solute and solvent were placed in amber glass bottles and allowed to 8 18 Acree, Jr., Can. J. Chem. 77, 1465 equilibrate for several days at constant temperature. Attainment of equilibrium (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c recrystallized several times from methanol. x2 x2 x1 (2) 99%, Acros Organics, USA, stored over molecular sieves before use. 1.0000 0.9458 0.05418 ax (s): initial mole fraction of component 2 in the solution. Estimated Error: 2 bx 2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-148 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 61 Method/Apparatus/Procedure: (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Cyclopentanol; C5H10O; [96-41-3] L. E. Roy, T. L. Sharp, and W. E. visible spectrophotometer. Acree, Jr., Can. J. Chem. 77, 1465 Excess solute and solvent were placed in amber glass bottles and allowed to (1999). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9693 0.03070 a (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, visible spectrophotometer. (2) 2-Ethyl-1-hexanol; C8H18O; L. E. Roy, T. L. Sharp, and W. E. Excess solute and solvent were placed in amber glass bottles and allowed to [104-76-7] Acree, Jr., Can. J. Chem. 77, 1465 equilibrate for several days at constant temperature. Attainment of equilibrium (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 1.0000 0.9712 0.02876 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x x1: mole fraction solubility of the solute. 1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 14 10 (2) 1,2-Ethanediol; C H O ; [107-21-1] L. E. Roy, T. L. Sharp, and W. E. visible spectrophotometer. 2 6 2 Acree, Jr., Can. J. Chem. 77, 1465 Excess solute and solvent were placed in amber glass bottles and allowed to (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 347 nm. Experimental Values
Source and Purity of Chemicals: (s)a b c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9989 0.001134 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before a (s) x2 : initial mole fraction of component 2 in the solution. use. b x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. Estimated Error: 1 Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-149
Auxiliary Information 11.8. Phenanthrene solubility data in ketones Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2-Butanone; C4H8O; [78-93-3] L. E. Roy, T. L. Sharp, and W. E. was verified by several repetitive measurements and by approaching Acree, Jr., Can. J. Chem. 77, 1465 equilibrium from supersaturation. Aliquots of saturated solutions were (1999). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Variables: Prepared by: T ¼ spectrophotometric measurements at 347 nm. /K 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular x (s)a x b x c sieves before use. 2 2 1 1.0000 0.7910 0.2090 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. b x2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 61 Method/Apparatus/Procedure: (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2,2,2-Trifluoroethanol; C2H3F3O; L. E. Roy, T. L. Sharp, and W. E. [75-89-8] Acree, Jr., Can. J. Chem. 77, 1465 visible spectrophotometer. (1999). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T ¼ /K 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 347 nm.
Source and Purity of Chemicals: x (s)a x b x c 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9982 0.001826 recrystallized several times from methanol. a (s) (2) 99.5%, HPLC Grade, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 61 (1) Phenanthrene; C14H10; [85-01-8] C. E. Hernández, K. M. De Fina, equilibrate for several days at constant temperature. Attainment of equilibrium (2) Cyclohexanone; C6H10O; [108-94-1] L. E. Roy, T. L. Sharp, and W. E. was verified by several repetitive measurements and by approaching Acree, Jr., Can. J. Chem. 77, 1465 equilibrium from supersaturation. Aliquots of saturated solutions were (1999). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Variables: Prepared by: T ¼ spectrophotometric measurements at 347 nm. /K 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before x (s)a x b x c use. 2 2 1 1.0000 0.7284 0.2716 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. b x2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-150 WILLIAM E. ACREE, JR.
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: equilibrium from supersaturation. Aliquots of saturated solutions were (1) Phenanthrene; C14H10; [85-01-8] W. E. Acree, Jr., unpublished data. transferred through a coarse filter into tared volumetric flasks, weighed and (2) Propanenitrile; C3H5N; [107-12-0] diluted with methanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 347 nm. T/K ¼ 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99.8%, Aldrich Chemical Company, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.8794 0.1206 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
11.9. Phenanthrene solubility data in miscellaneous Auxiliary Information organic solvents Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium (1) Phenanthrene; C H ; [85-01-8] 61C. E. Hernández, K. M. De Fina, 14 10 was verified by several repetitive measurements and by approaching (2) Ethanenitrile; C H N; [75-05-8] L. E. Roy, T. L. Sharp, and W. E. 2 3 equilibrium from supersaturation. Aliquots of saturated solutions were Acree, Jr., Can. J. Chem. 77, 1465 transferred through a coarse filter into tared volumetric flasks, weighed and (1999). diluted with 2-propanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 347 nm. T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
(s)a b c x2 x2 x1 Estimated Error: 1.0000 0.9673 0.03267 Temperature: 0.1 K. x a (s) 1: 1.5% (relative error). x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements:
(1) Phenanthrene; C14H10; [85-01-8] W. E. Acree, Jr., unpublished data. (2) Butanenitrile; C4H7N; [109-74-0] Auxiliary Information Variables: Prepared by: Method/Apparatus/Procedure: T/K ¼ 298.15 W. E. Acree, Jr. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Experimental Values equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching (s)a b c equilibrium from supersaturation. Aliquots of saturated solutions were x2 x2 x1 transferred through a coarse filter into tared volumetric flasks, weighed and 1.0000 0.8376 0.1624 diluted with methanol. Concentrations were determined by a (s) x2 : initial mole fraction of component 2 in the solution. spectrophotometric measurements at 347 nm. b x2: mole fraction of component 2 in the saturated solution. cx Source and Purity of Chemicals: 1: mole fraction solubility of the solute. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, stored over molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-151
Auxiliary Information Auxiliary Information Method/Apparatus/Procedure: Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Temperature-controlled heating/cooling system and a shaking-mixing system. visible spectrophotometer. Synthetic mixtures of known compositions were weighed in small glass Excess solute and solvent were placed in amber glass bottles and allowed to ampoules. The mixture composition was known to within 0.0002 mole equilibrate for several days at constant temperature. Attainment of equilibrium fraction. Ampoules were cooled to very low temperatures of about 220 K, was verified by several repetitive measurements and by approaching pumped down and sealed. The sealed mixtures were then melted, cooled equilibrium from supersaturation. Aliquots of saturated solutions were rapidly, and reheated. The rate of reheating was at an approximate rate of 8 transferred through a coarse filter into tared volumetric flasks, weighed and 10 5 K/s just before complete dissolution. The temperature at which the solid diluted with 2-propanol. Concentrations were determined by completely dissolved was recorded. The average of two or three independent spectrophotometric measurements at 347 nm. measurements was taken as the solid-liquid equilibrium.
Source and Purity of Chemicals: Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (1) 98%, Koch-Light Lab. Ltd., United Kingdom, was purified with recrystallized several times from methanol. concentrated sulfuric acid, followed by maleic anhydride, and then (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. recrystallized to yield a sample of 99.86% purity (mass percent). (2) Purest grade, Merck-Schuchardt, Federal Republic of Germany, was Estimated Error: distilled under reduced pressure and dried over molecular sieves to produce a Temperature: 0.1 K. sample of 99.9% purity (mass percent). x1: 1.5% (relative error). Estimated Error: Temperature: 0.2 K (estimated by compiler).
x1: 0.0002. Components: Original Measurements: 35 (1) Phenanthrene; C14H10; [85-01-8] Z. Lisicki and M. E. Jamro´z, J. (2) N,N-Dimethylacetamide; C4H9NO; Chem. Thermodyn. 32, 1335 [127-19-5] (2000). Components: Original Measurements: (1) Phenanthrene; C H ; [85-01-8] 35Z. Lisicki and M. E. Jamro´z, J. Variables: Prepared by: 14 10 (2) 1-Methyl-2-pyrrolidone; C H NO; Chem. Thermodyn. 32, 1335 Temperature W. E. Acree, Jr. 5 9 [872-50-4] (2000). Variables: Prepared by: Experimental Values Temperature W. E. Acree, Jr.
a b T/K x2 x1 Experimental Values 253.2 1.0000 0.0000 252.7 0.9900 0.0100 T x a x b 251.3 0.9712 0.0288 /K 2 1 250.2 0.9497 0.0503 248.5 1.0000 0.0000 249.2 0.9395 0.0605 248.1 0.9898 0.0102 248.1 0.9249 0.0751 246.5 0.9507 0.0493 245.9 0.9006 0.0994 245.3 0.9249 0.0751 250.7 0.8797 0.1203 243.8 0.8993 0.1007 260.2 0.8508 0.1492 246.7 0.8570 0.1430 274.8 0.8009 0.1991 262.9 0.8009 0.1991 287.8 0.7509 0.2491 275.0 0.7520 0.2480 298.4 0.8968 0.3032 278.3 0.7340 0.2660 308.3 0.6385 0.3615 280.4 0.7274 0.2726 314.3 0.5997 0.4003 282.8 0.7139 0.2861 318.4 0.5713 0.4287 288.4 0.6920 0.3080 328.0 0.4974 0.5026 293.4 0.6663 0.3337 339.6 0.3915 0.6085 305.4 0.5964 0.4036 349.1 0.2942 0.7058 319.4 0.4988 0.5012 359.4 0.1812 0.8188 330.0 0.4197 0.5803 366.4 0.0959 0.9041 335.1 0.3800 0.6200 372.9 0.0000 1.0000 340.7 0.3328 0.6672 a 356.8 0.2020 0.7980 x2: mole fraction of component 2 in the saturated solution. b 365.3 0.0996 0.9004 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 372.9 0.0000 1.0000 a x2: mole fraction of component 2 in the saturated solution. bx The authors reported that the binary system exhibits simple 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). eutectic behavior, with a eutectic temperature of T/K ¼ 245.5 and eutectic composition of x ¼ 0.105. 1 The authors reported that the binary system exhibits simple eutectic behavior, with a eutectic temperature of T/K ¼ 242.4 and eutectic composition of x1 ¼ 0.162.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-152 WILLIAM E. ACREE, JR.
Auxiliary Information Auxiliary Information Method/Apparatus/Procedure: Method/Apparatus/Procedure: Temperature controlled heating/cooling system and a shaking-mixing system. Temperature controlled heating/cooling system and a shaking-mixing system. Synthetic mixtures of known compositions were weighed in small glass Synthetic mixtures of known compositions were weighed in small glass ampoules. The mixture composition was known to within 0.0002 mole ampoules. The mixture composition was known to within 0.0002 mole fraction. Ampoules were cooled to very low temperatures of about 220 K, fraction. Ampoules were cooled to very low temperatures of about 220 K, pumped down and sealed. The sealed mixtures were then melted, cooled pumped down and sealed. The sealed mixtures were then melted, cooled rapidly, and reheated. The rate of reheating was at an approximate rate of rapidly, and reheated. The rate of reheating was at an approximate rate of 8 10 5 K/s just before complete dissolution. The temperature at which the 8 10 5 K/s just before complete dissolution. The temperature at which the solid completely dissolved was recorded. The average of two or three solid completely dissolved was recorded. The average of two or three independent measurements was taken as the solid-liquid equilibrium. independent measurements was taken as the solid-liquid equilibrium.
Source and Purity of Chemicals: Source and Purity of Chemicals: (1) 98%, Koch-Light Lab. Ltd., United Kingdom, was purified with (1) 98%, Koch-Light Lab. Ltd., United Kingdom, was purified with concentrated sulfuric acid, followed by maleic anhydride, and then concentrated sulfuric acid, followed by maleic anhydride, and then recrystallized to yield a sample of 99.86% purity (mass percent). recrystallized to yield a sample of 99.86% purity (mass percent). (2) Technical Grade, BASF, Federal Republic of Germany, was purified by (2) Technical Grade, Leuna Werke, Federal Republic of Germany, was treatment with a 2% solution of potassium permanganate, and then distilled purified by super-rectification and then dried over molecular sieves to give a under reduced pressure to collect the distillate having 99.8% purity (mass sample having a purity of 99.9% by mass. percent). The purified sample was dried over molecular sieves. Estimated Error: Estimated Error: Temperature: 0.2 K (estimated by compiler).
Temperature: 0.2 K (estimated by compiler). x1: 0.0002. x1: 0.0002.
12. Solubility of Phenothiazine in Organic Components: Original Measurements: 35 Solvents (1) Phenanthrene; C14H10; [85-01-8] Z. Lisicki and M. E. H N (2) Hexahydro-1-methyl-2 -azepin-2-one ( - Jamro´z, J. Chem. 12.1. Critical evaluation of experimental Methyl-ε-caprolactam); C7H13NO; [2556-73-2] Thermodyn. 32, 1335 (2000). solubility data Variables: Prepared by: The three earlier volumes in the IUPAC Solubility Data Temperature W. E. Acree, Jr. Series on solubilities of polycyclic aromatic hydrocarbons1–3 contained very little solubility data for phenothiazine. Volume 59 (Ref. 3) contained phase diagram information for four Experimental Values binary systems, namely phenothiazine + phenoxazine, phe- nothiazine + thianthrene, phenothiazine + phenoxanthiin, and T x a x b /K 2 1 phenothiazine + dibenzo[b,e][1,4]dioxine. The experimental 279.6 1.0000 0.0000 data will not be repeated here. The solubility information 281.3 0.7225 0.2775 contained in Vol. 59 is listed so that readers will know what 294.1 0.6749 0.3251 phenothiazine data are available in earlier volumes in the 300.2 0.6363 0.3637 308.4 0.5992 0.4008 series. 316.3 0.5479 0.4521 There have been three studies that reported solubility data for 323.6 0.5044 0.4956 phenothiazine in organic solvents after Vol. 59 was published in 325.2 0.4988 0.5012 1995. Hoover et al.65 determined the solubility of phenothiazine 334.9 0.4207 0.5793 in nine alkanes, 20 alkanols, one alkanediol, four dialkyl ethers, 343.5 0.3464 0.6536 353.5 0.2480 0.7520 one cyclic ether, and three alkanenitriles at 298.15 K. They used 362.1 0.1497 0.8503 the experimental solubility data to determine the Abraham model 369.7 0.0486 0.9514 solute descriptors for phenothiazine. The calculated solute 372.9 0.0000 1.0000 descriptors described observed solubility data to within a 66 x2: mole fraction of component 2 in the saturated solution. 0.094 log units. Saifullah et al. reported the solubility of bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). phenothiazine in tetrahydrofuran at 298.15 K as part of a computational study aimed at updating the Abraham model equation coefficients of tetrahydrofuran and 1,4-dioxane and extending the basic model to includeionic solute species. Finally, Ahmadian et al.67 measured the solubility of phenothiazine in ethanol and 1,2-propanediol at 298.2, 308.2, 318.2, and 328.2 K.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-153
There is only one solvent common to the three solubility studies. Experimental Values The mole fraction solubility of phenothiazine in ethanol of x1 ¼ et al.65 0.00890 reported by Hoover differs from the experi- x (s)a x b x c mentalvalueofx ¼ 0.00876 fromthe Ahmadianet al.67 study by 2 2 1 1 1.0000 0.9993 0.000696 less than 2%. a (s) x2 : initial mole fraction of component 2 in the solution. The experimental solubility data for phenothiazine dis- b x2: mole fraction of component 2 in the saturated solution. solved in the different organic solvents are given in c x1: mole fraction solubility of the solute. Secs. 12.2–12.6.
Auxiliary Information 12.2. Phenothiazine solubility data in saturated hydrocarbons (including cycloalkanes) Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., was verified by several repetitive measurements and by approaching (2) Hexane; C6H14; [110-54-3] and M. H. Abraham, Phys. Chem. equilibrium from supersaturation. Aliquots of saturated solutions were Liq. 44, 367 (2006). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 281 nm.
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.9994 0.000585 Temperature: 0.1 K. ax (s) 2 : initial mole fraction of component 2 in the solution. x1: 1.5% (relative error). b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Auxiliary Information (2) Octane; C8H18; [111-65-9] and M. H. Abraham, Phys. Chem. Liq. 44, 367 (2006). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: T ¼ visible spectrophotometer. /K 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Experimental Values was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and x (s)a x b x c diluted with methanol. Concentrations were determined by 2 2 1 spectrophotometric measurements at 281 nm. 1.0000 0.9991 0.000858 a (s) x2 : initial mole fraction of component 2 in the solution. Source and Purity of Chemicals: b x2: mole fraction of component 2 in the saturated solution. (1) 99%, Acros Organics, USA, was used as received. c x1: mole fraction solubility of the solute. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K. Auxiliary Information x : 1.5% (relative error). 1 Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., was verified by several repetitive measurements and by approaching (2) Heptane; C7H16; [142-82-5] and M. H. Abraham, Phys. Chem. equilibrium from supersaturation. Aliquots of saturated solutions were Liq. 44, 367 (2006). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-154 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99+%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9983 0.001661 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) Decane; C10H22; [124-18-5] and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9989 0.001056 (1) 99%, Acros Organics, USA, was used as received. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over bx 2: mole fraction of component 2 in the saturated solution. molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) Cyclohexane; C6H12; [110-82-7] and M. H. Abraham, Phys. Chem. equilibrate for several days at constant temperature. Attainment of equilibrium Liq. 44, 367 (2006). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. x (s)a x b x c (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves 2 2 1 before use. 1.0000 0.9990 0.000979 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) Hexadecane; C16H34; [544-76-3] and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-155
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9984 0.001577 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) Methylcyclohexane; C7H14; and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [108-87-2] Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9990 0.001027 (1) 99%, Acros Organics, USA, was used as received. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99%, Lancaster Synthesis, Ward Hill, Massachusetts, USA, stored over bx 2: mole fraction of component 2 in the saturated solution. molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2,2,4-Trimethylpentane; C8H18; and M. H. Abraham, Phys. Chem. equilibrate for several days at constant temperature. Attainment of equilibrium [540-84-1] Liq. 44, 367 (2006). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. x (s)a x b x c (2) 99+%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, 2 2 1 stored over molecular sieves before use. 1.0000 0.9995 0.000532 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) Cyclooctane; C8H16; [292-64-8] and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-156 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9881 0.01185 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
12.3. Phenothiazine solubility data in ethers Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 65 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1,1′-Oxybisethane; C4H10O; and M. H. Abraham, Phys. Chem. [60-29-7] Liq. 44, 367 (2006). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T ¼ /K 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. (2) 99%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, x (s)a x b x c 2 2 1 stored over molecular sieves before use. 1.0000 0.9742 0.02581 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. c x1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., ′ Method/Apparatus/Procedure: (2) 1,1 -Oxybisbutane; C8H18O; and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [142-96-1] Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. (s)a b c x2 x2 x1 1.0000 0.9886 0.01144 Source and Purity of Chemicals: ax (s) (1) 99%, Acros Organics, USA, was used as received. 2 : initial mole fraction of component 2 in the solution. bx (2) 99+%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, 2: mole fraction of component 2 in the saturated solution. cx stored over molecular sieves before use. 1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. Auxiliary Information x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., was verified by several repetitive measurements and by approaching ′ (2) 2,2 -Oxybispropane; C6H14O; and M. H. Abraham, Phys. Chem. equilibrium from supersaturation. Aliquots of saturated solutions were [108-20-3] Liq. 44, 367 (2006). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-157
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99.3%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.8388 0.1612 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) 2-Methoxy-2-methylpropane; and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ C5H12O; [1634-04-4] Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9766 0.02339 (1) 99%, Acros Organics, USA, was used as received. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99.9%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, bx 2: mole fraction of component 2 in the saturated solution. stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1,4-Dioxane; C4H8O2; [123-91-1] and M. H. Abraham, Phys. Chem. equilibrate for several days at constant temperature. Attainment of equilibrium Liq. 44, 367 (2006). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. x (s)a x b x c (2) 99.9+%, Arco Chemical Company, USA, stored over molecular sieves 2 2 1 before use. 1.0000 0.8974 0.1026 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Components: Original Measurements: Auxiliary Information 66 (1) Phenothiazine; C12H9NS; [92-84-2] M. Saifullah, S. Ye, L. M. Method/Apparatus/Procedure: (2) Tetrahydrofuran; C4H8O; [109-99-9] Grubbs, N. E. De La Rosa, W. E. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Acree, Jr., and M. H. Abraham, J. visible spectrophotometer. Solution Chem. 40, 2082 (2011). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-158 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99.8%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9911 0.00890 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
12.4. Phenothiazine solubility data in alcohols Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 65 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) Methanol; CH4O; [67-56-1] and M. H. Abraham, Phys. Chem. Liq. 44, 367 (2006). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T ¼ /K 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. (2) Absolute, Aapar Alcohol and Chemical Company, USA, stored over x (s)a x b x c 2 2 1 molecular sieves before use. 1.0000 0.9949 0.00512 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. c x1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 67 (1) Phenothiazine; C12H9NS; [92-84-2] S. Ahmadian, V. Panahi-Azar, Method/Apparatus/Procedure: (2) Ethanol; C2H6O; [64-17-5] M. A. A. Fakhree, W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ and A. Jouyban, J. Chem. Eng. visible spectrophotometer. Data 56, 4352 (2011). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. a b T/K x2 x1 Source and Purity of Chemicals: 298.2 0.9912 0.00876 (1) 99%, Acros Organics, USA, was used as received. 308.2 0.9900 0.0100 (2) 99.8%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, 318.2 0.9878 0.0122 stored over molecular sieves before use. 328.2 0.9855 0.0145 ax Estimated Error: 2: mole fraction of component 2 in the saturated solution. bx Temperature: 0.1 K. 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Incubator, shaker, and an ultraviolet/visible spectrophotometer. 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Solubility was determined by equilibrating an excess amount of solid (2) Ethanol; C2H6O; [64-17-5] and M. H. Abraham, Phys. Chem. naphthalene with the organic solvent using a shaker placed in an incubator Liq. 44, 367 (2006). equipped with a temperature controlling system. After an equilibration period Variables: Prepared by: of at least 48 h, the samples were withdrawn and filtered through hydrophobic μ T/K ¼ 298.15 W. E. Acree, Jr. Durapore filters (0.45 m). The filtered sample was diluted quantitatively with methanol. Concentrations were determined by spectrophotmetric analysis at 356 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-159
Source and Purity of Chemicals: Experimental Values (1) 98%, Merck Chemicals, Germany, was recrystallized from propanone before use. (2) 99.9%, Scharlau Chemie, Spain, no information given regarding any (s)a b c x2 x2 x1 further purification. 1.0000 0.9940 0.00600 ax (s) Estimated Error: 2 : initial mole fraction of component 2 in the solution. bx Temperature: 0.2 K to 0.6 K, the higher temperatures have greater 2: mole fraction of component 2 in the saturated solution. cx uncertainty. 1: mole fraction solubility of the solute. x1: 2.3% (relative uncertainty).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., visible spectrophotometer. (2) 1-Propanol; C3H8O; [71-23-8] and M. H. Abraham, Phys. Chem. Excess solute and solvent were placed in amber glass bottles and allowed to Liq. 44, 367 (2006). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 281 nm.
Source and Purity of Chemicals: (s)a b c (1) 99%, Acros Organics, USA, was used as received. x2 x2 x1 (2) 99+%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, 1.0000 0.9911 0.00885 stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Butanol; C4H10O; [71-36-3] and M. H. Abraham, Phys. Chem. visible spectrophotometer. Liq. 44, 367 (2006). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: T ¼ was verified by several repetitive measurements and by approaching /K 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 281 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 99%, Acros Organics, USA, was used as received. 1.0000 0.9890 0.01099 (2) 99+%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, a (s) x2 : initial mole fraction of component 2 in the solution. stored over molecular sieves before use. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., visible spectrophotometer. (2) 2-Propanol; C3H8O; [67-63-0] and M. H. Abraham, Phys. Chem. Excess solute and solvent were placed in amber glass bottles and allowed to Liq. 44, 367 (2006). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-160 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99.8+%, HPLC Grade, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9947 0.00534 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) 2-Butanol; C4H10O; [78-92-2] and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9927 0.00732 (1) 99%, Acros Organics, USA, was used as received. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99+%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, bx 2: mole fraction of component 2 in the saturated solution. stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Methyl-2-propanol; C4H10O; and M. H. Abraham, Phys. Chem. equilibrate for several days at constant temperature. Attainment of equilibrium [75-65-0] Liq. 44, 367 (2006). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. x (s)a x b x c (2) 99+%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, 2 2 1 stored over molecular sieves before use. 1.0000 0.9942 0.00583 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) 2-Methyl-1-propanol; C4H10O; and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [78-83-1] Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-161
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99%, Arco Chemical Company, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9927 0.00726 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) 1-Pentanol; C5H12O; [71-41-0] and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9866 0.01339 (1) 99%, Acros Organics, USA, was used as received. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over bx 2: mole fraction of component 2 in the saturated solution. molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) 3-Methyl-1-butanol; C5H12O; and M. H. Abraham, Phys. Chem. equilibrate for several days at constant temperature. Attainment of equilibrium [123-51-3] Liq. 44, 367 (2006). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. x (s)a x b x c (2) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over 2 2 1 molecular sieves before use. 1.0000 0.9910 0.00896 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) 2-Methyl-1-butanol; C5H12O; and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [132-32-6] Liq. 44, 367 (2006). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-162 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9844 0.01562 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Auxiliary Information (2) 2-Pentanol; C5H12O; [6032-29-7] and M. H. Abraham, Phys. Chem. Liq. 44, 367 (2006). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T ¼ /K 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by x (s)a x b x c 2 2 1 spectrophotometric measurements at 281 nm. 1.0000 0.9913 0.00871 a (s) Source and Purity of Chemicals: x2 : initial mole fraction of component 2 in the solution. b (1) 99%, Acros Organics, USA, was used as received. x2: mole fraction of component 2 in the saturated solution. c (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 65 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2-Methyl-1-pentanol; C6H14O; and M. H. Abraham, Phys. Chem. was verified by several repetitive measurements and by approaching [105-30-6] Liq. 44, 367 (2006). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. (s) a b c x2 x2 x1 1.0000 0.9913 0.00866 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) 1-Hexanol; C6H14O; [111-27-3] and M. H. Abraham, Phys. Chem. Liq. 44, 367 (2006). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-163
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9825 0.01754 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Auxiliary Information (2) 4-Methyl-2-pentanol; C6H14O; and M. H. Abraham, Phys. Chem. [108-11-2] Liq. 44, 367 (2006). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T ¼ /K 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by x (s)a x b x c 2 2 1 spectrophotometric measurements at 281 nm. 1.0000 0.9927 0.00728 a (s) Source and Purity of Chemicals: x2 : initial mole fraction of component 2 in the solution. b (1) 99%, Acros Organics, USA, was used as received. x2: mole fraction of component 2 in the saturated solution. c (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 65 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1-Octanol; C8H18O; [111-87-5] and M. H. Abraham, Phys. Chem. was verified by several repetitive measurements and by approaching Liq. 44, 367 (2006). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9814 0.01855 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Method/Apparatus/Procedure: (2) Heptanol; C7H16O; [111-70-6] and M. H. Abraham, Phys. Chem. Liq. 44, 367 (2006). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-164 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99+%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9802 0.01984 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Auxiliary Information (2) 2-Ethyl-1-hexanol; C8H18O; and M. H. Abraham, Phys. Chem. [104-76-7] Liq. 44, 367 (2006). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T ¼ /K 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by x (s)a x b x c 2 2 1 spectrophotometric measurements at 281 nm. 1.0000 0.9899 0.01009 a (s) Source and Purity of Chemicals: x2 : initial mole fraction of component 2 in the solution. b (1) 99%, Acros Organics, USA, was used as received. x2: mole fraction of component 2 in the saturated solution. c (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 65 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) Cyclopentanol; C5H10O; [96-41-3] and M. H. Abraham, Phys. Chem. was verified by several repetitive measurements and by approaching Liq. 44, 367 (2006). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over (s)a b c x2 x2 x1 molecular sieves before use. 1.0000 0.9788 0.02119 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 1.5% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 65 Method/Apparatus/Procedure: (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Decanol; C10H22O; [112-30-1] and M. H. Abraham, Phys. Chem. Liq. 44, 367 (2006). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-165
Source and Purity of Chemicals: Experimental Values (1) 99%, Acros Organics, USA, was used as received. (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over molecular sieves before use. a b T/K x2 x1 298.2 0.9958 0.00416 Estimated Error: 308.2 0.9946 0.00540 Temperature: 0.1 K. 318.2 0.9934 0.00656 x : 1.5% (relative error). 1 328.2 0.9923 0.00763 338.2 0.9915 0.00852 a x2: mole fraction of component 2 in the saturated solution. bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). Components: Original Measurements: 1 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., (2) 1,2-Ethanediol; C2H6O2; [107-21-1] and M. H. Abraham, Phys. Chem. Liq. 44, 367 (2006). Variables: Prepared by: Auxiliary Information T ¼ /K 298.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Incubator, shaker, and an ultraviolet/visible spectrophotometer. Solubility was determined by equilibrating an excess amount of solid Experimental Values naphthalene with the organic solvent using a shaker placed in an incubator equipped with a temperature controlling system. After an equilibration period of at least 48 h, the samples were withdrawn and filtered through hydrophobic x (s)a x b x c 2 2 1 Durapore filters (0.45 μm). The filtered sample was diluted quantitatively with 1.0000 0.9981 0.00191 methanol. Concentrations were determined by spectrophotmetric analysis at a (s) 356 nm. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Source and Purity of Chemicals: x1: mole fraction solubility of the solute. (1) 98%, Merck Chemicals, Germany, was recrystallized from propanone before use. (2) 99.9%, Scharlau Chemie, Spain, no information given regarding any further purification. Auxiliary Information Estimated Error: / / Method Apparatus Procedure: Temperature: 0.2 to 0.6 K, the higher temperatures have greater Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ uncertainty. visible spectrophotometer. x1: 2.3% (relative uncertainty). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and 12.5. Phenothiazine solubility data in diluted with methanol. Concentrations were determined by alkoxyalcohols spectrophotometric measurements at 281 nm.
Source and Purity of Chemicals: Components: Original Measurements: (1) 99%, Acros Organics, USA, was used as received. (1) Phenothiazine; C H NS; [92-84-2] W. E. Acree, unpublished (2) 99.8%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, 12 9 (2) 2-Ethoxyethanol; C H O ; [110-80-5] data. stored over molecular sieves before use. 4 10 2 Variables: Prepared by: Estimated Error: T/K ¼ 298.15 W. E. Acree, Jr. Temperature: 0.1 K. x1: 1.5% (relative error). Experimental Values
x (s)a x b x c Components: Original Measurements: 2 2 1 67 (1) Phenothiazine; C12H9NS; [92-84-2] S. Ahmadian, V. Panahi-Azar, 1.0000 0.9195 0.08051 (2) 1,2-Propanediol; C3H8O2; [57-55-6] M. A. A. Fakhree, W. E. Acree, Jr., a (s) x2 : initial mole fraction of component 2 in the solution. and A. Jouyban, J. Chem. Eng. b x2: mole fraction of component 2 in the saturated solution. Data 56, 4352 (2011). c x1: mole fraction solubility of the solute. Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-166 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements:
Method/Apparatus/Procedure: (1) Phenothiazine; C12H9NS; [92-84-2] W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Isopropoxyethanol; C5H12O2; unpublished data. visible spectrophotometer. [109-59-1] Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 99%, Acros Organics, USA, used as received. 1.0000 0.9288 0.07122 a (s) (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over x2 : initial mole fraction of component 2 in the solution. b molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/
(1) Phenothiazine; C12H9NS; [92-84-2] W. E. Acree, Jr., visible spectrophotometer. (2) 2-Propoxyethanol; C5H12O2; unpublished data. Excess solute and solvent were placed in amber glass bottles and allowed to [2807-30-9] equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 99%, Acros Organics, USA, used as received. 2 2 1 (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over 1.0000 0.9276 0.07241 molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Components: Original Measurements:
Method/Apparatus/Procedure: (1) Phenothiazine; C12H9NS; [92-84-2] W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Butoxyethanol; C6H14O2; [111-76-2] unpublished data. visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 298.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9437 0.05625 a (s) (1) 99%, Acros Organics, USA, used as received. x2 : initial mole fraction of component 2 in the solution. b (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over x2: mole fraction of component 2 in the saturated solution. c molecular sieves before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-167
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.5% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: 65 equilibrium from supersaturation. Aliquots of saturated solutions were (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., transferred through a coarse filter into tared volumetric flasks, weighed and (2) Propanenitrile; C3H5N; [107-12-0] and M. H. Abraham, Phys. Chem. diluted with methanol. Concentrations were determined by Liq. 44, 367 (2006). spectrophotometric measurements at 281 nm. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, used as received. (2) 99+%, Acros Organics, USA, stored over anhydrous sodium sulfate and Experimental Values molecular sieves before use.
Estimated Error: (s)a b c x2 x2 x1 Temperature: 0.1 K. 1.0000 0.9613 0.03872 x1: 1.5% (relative error). a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. 12.6. Phenothiazine solubility data in miscellaneous organic solvents Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) Ethanenitrile; C2H3N; [75-05-8] and M. H. Abraham, Phys. Chem. equilibrate for several days at constant temperature. Attainment of equilibrium Liq. 44, 367 (2006). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. Experimental Values Source and Purity of Chemicals: (1) 99%, Acros Organics, USA, was used as received. (s)a b c (2) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, stored over x2 x2 x1 molecular sieves before use. 1.0000 0.9883 0.01169 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Components: Original Measurements: Auxiliary Information 65 (1) Phenothiazine; C12H9NS; [92-84-2] K. R. Hoover, W. E. Acree, Jr., / / Method Apparatus Procedure: (2) Butanenitrile; C4H7N; [109-74-0] and M. H. Abraham, Phys. Chem. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Liq. 44, 367 (2006). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: T ¼ equilibrate for several days at constant temperature. Attainment of equilibrium /K 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 281 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9426 0.05741 (1) 99%, Acros Organics, USA, was used as received. a (s) x2 : initial mole fraction of component 2 in the solution. (2) 99.8%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, b x2: mole fraction of component 2 in the saturated solution. stored over molecular sieves before use. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-168 WILLIAM E. ACREE, JR.
Auxiliary Information There have been several studies that reported solubility data Method/Apparatus/Procedure: for pyrene in organic solvents after Vol. 59 was published in Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1995. Acree and co-workers10,17,22,45,61,68–70 determined the visible spectrophotometer. solubility of pyrene in six alkanes (nonane, decane, undecane, Excess solute and solvent were placed in amber glass bottles and allowed to dodecane, hexadecane, and squalane), in one aromatic hydro- equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching carbon (ethylbenzene), in four alkyl alkanoates (methyl equilibrium from supersaturation. Aliquots of saturated solutions were ethanoate, pentyl ethanoate, methyl butanoate, and dibutyl transferred through a coarse filter into tared volumetric flasks, weighed and oxalate), in three dialkyl ethers (1,1′-oxybisethane, 2,2′-oxy- diluted with methanol. Concentrations were determined by bispropane, and 2-methoxy-2-methylpropane) and two cyclic spectrophotometric measurements at 281 nm. ethers (tetrahydrofuran and 1,4-dioxane), in three halogenated Source and Purity of Chemicals: alkanes (1-chlorohexane, 1-chlorooctane, and chlorocyclo- (1) 99%, Acros Organics, USA, was used as received. hexane) and two halogenated benzenes (fluorobenzene and (2) 99.7%, anhydrous, Aldrich Chemical Company, Milwaukee, WI, USA, (trifluoromethyl)benzene), ten alkanols (2-methyl-2-propa- stored over molecular sieves before use. nol, 1-hexanol, 2-methyl-1-pentanol, 4-methyl-2-pentanol, 1-heptanol, 1-decanol, 3,7-dimethyl-1-octanol, cyclohexanol, Estimated Error: Temperature: 0.1 K. 1,2-ethanediol, and 2,2,2-trifluoroethanol), in five alkoxyalk- x1: 1.5% (relative error). anols (2-methoxyethanol, 2-methoxyethanol, 2-propoxyetha- nol, 2-butoxyethanol, and 3-methoxy-1-butanol), in two alkanones (butanone, cyclohexanone) and acetophenone, and in 15 different miscellaneous organic solvents (ethanenitrile, propanenitrile, butanenitrile, hexanedinitrile, benzonitrile, 13. Solubility of Pyrene in Organic Solvents methyl acetoacetate, N-methylformamide, N,N-dimethylfor- N N 13.1. Critical evaluation of experimental mamide, , -dimethylacetamide, benzeneamine, dimethyl solubility data sulfoxide, propylene carbonate, tributyl phosphate, morpho- line, and ethanolamine). The experimental solubilities were Volume 59 in the IUPAC Solubility Data Series3 contained measured at a single temperature of 299.15 K. Critical evalua- experimental solubility data for pyrene dissolved in nine tions are not possible as there are no independent measure- saturated hydrocarbons (hexane, heptanes, octane, octade- ments for the phenanthrene–organic solvent systems studied cane, cyclohexane, methylcyclohexane, cyclooctane, 2,2,4- by Acree and co-workers.10,17,22,45,61,68–70 trimethylpentane, and tert-butylcyclohexane), in five aromatic Two research groups have studied the solubility behavior of hydrocarbons (benzene, methylbenzene, 1,2-dimethylben- pyrene as a function of temperature. Yu et al.71 examined the zene, 1,3-dimethylbenzene, and 1,4-dimethylbenzene), in solubility of pyrene in methylbenzene, ethyl ethanoate, tetra- three alkyl alkanoates (ethyl ethanoate, butyl ethanoate, and hydrofuran, methanol, ethanol, 1-propanol, 2-propanol and ethyl butanoate), in one dialkyl ether (1,1′-oxybisbutane) and propanone at several temperatures between 293 and 333 K. In one cyclic ether (1,4-dioxane), in four haloalkanes (tetrachlor- addition to reporting experimental solubilities, the authors omethane, 1,2-dichloroethane, 1-chlorobutane, and 1,4- provided a mathematical representation describing how the dichlorobutane), in 11 alkanols (methanol, ethanol, 1-propa- solubility varied with temperature based on the Apelblat nol, 2-propanol, 1-butanol, 2-butanol, 1-pentanol, 2-methyl-1- model (see Eq. (3)) and calculated both the dissolution propanol, 2-methyl-1-propanol, 3-methyl-1-butanol, 1-octa- enthalpy and entropy of pyrene in the eight different solvents nol, and cyclopentanol) and one phenol (1-hydroxy-2-methyl- from plots of the natural logarithm of mole fraction solubility benzene), and in three miscellaneous organic solvents versus reciprocal absolute temperature. The authors’ calcu- (pyridine, dimethyl sulfoxide, and acetonitrile). Most of the lated curve-fit coefficients are given in Table 6, along with the experimental measurements were performed between 293 and root-mean-square deviations (RMSDs) for the respective 303 K. The compiled solubility data also included phase mathematical representations. The root-mean-square devia- diagrams for binary pyrene + chrysene, pyrene + naphthalene, tion is defined by Eq. (9) pyrene + octafluoronaphthalene, pyrene + 1,3-dinitrobenzene, pyrene + 1,4-dinitrobenzene, pyrene + 1,3,5-trinitrobenzene, XN ¼ 1 x calc x exp 2 1=2; ð Þ pyrene + 1,2,3,5-tetranitrobenzene, pyrene + 2,4-dinitro- RMSD N 1 1 9 methylbenzene, pyrene + 2,4-dinitrophenol, pyrene + 2,4,6- i¼1 trinitromethylbenzene, pyrene + 2,4,6-trinitromethoxyben- zene, pyrene + 2,4,6-trinitoraniline, pyrene + 2-chloro- where N is the number of experimental solubility measure- 1,3,5-trinitrobenzene, and pyrene + 3-methyl-2,4,6-trinitro- ments in an individual solute-solvent data set. The Apelblat phenol mixtures. Solubility data contained in Vol. 59 will not model provided a very good mathematical description of the be republished here. The listing above is provided so that observed solubility behavior of pyrene as evidenced by the readers will know what solubility data are available in the small RMSD values. It was also noted in the manuscript that earlier volume for pyrene. the authors’ experimental data at 298 K were in good
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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TABLE 6. Parameters of the Apelblat equation for describing the solubility of pyrene in various organic solvents Solvent ABCRMSD Methylbenzenea 231.518 8511.8 35.145 0.001396 Ethyl ethanoatea 295.480 11362.5 44.605 0.000970 Methanola 21.919 1578.6 3.630 0.000041 Ethanola 147.196 4300.3 22.292 0.000042 1-Propanola 180.557 5549.2 27.463 0.000067 2-Propanola 190.169 5835.4 28.929 0.000049 Tetrahydrofurana 84.110 2415.7 12.995 0.001421 Propanonea 184.688 6062.2 28.246 0.000367 Hexaneb 44.139 4126.7 6.112 0.000231 Methylcyclohexaneb 34.845 4126.4 4.404 0.000440 Benzeneb 17.063 4126.8 1.029 0.000753 Ethylbenzeneb 15.133 4126.8 0.670 0.003241 1-Hexanolb 46.292 4126.1 6.436 0.000224 Octanec 42.018 4126.2 5.657 0.000188 2,2,4-Trimethylpentanec 36.658 4126.3 4.837 0.000133 1,4-Dimethylbenzenec 48.383 4126.0 6.491 0.000298 1-Octanolc 41.770 4126.2 5.550 0.000207 aNumerical values of the coefficients and the percent mean relative deviations were taken from Yu et al.71 bNumerical values of the coefficients and the percent mean relative deviations were taken from Ali and Al-Rashed.73 cNumerical values of the coefficients and the percent mean relative deviations were taken from Ali.74
agreement with previously published by Powell et al.72 (which 13.2. Pyrene solubility data in saturated is given in Vol. 59 of the IUPAC Solubility Data Series3). It is hydrocarbons (including cycloalkanes) further noted that the measured solubility of pyrene in tetra- hydrofuran at 298.75 K, x1 ¼ 0.1427, is in good agreement with the value of x1 ¼ 0.1402 determined by Acree and Components: Original Measurements: 10 73 Abraham for 299.15 K. (1) Pyrene; C16H10; [129-00-0] S. H. Ali and O. A. Al-Rashed, Ali and Al-Rashed73 studied the solubility of pyrene in both (2) Hexane; C6H14; [110-54-3] Fluid Phase Equilib. 281, 133 (2009). single solvents and in multi-component solvent mixtures containing hexane, methylcyclohexane, benzene, methylben- Variables: Prepared by: Temperature W. E. Acree, Jr. zene, and 1-hexanol over the temperature range from 293 to 318 K. The measured mole fraction solubilities were used to test the descriptive and predictive abilities of the Wilson, Experimental Values Combined NIBS/Redlich-Kister, UNIQAC, Non-Random Two Liquid solution models. The models were found to T/K x a x b describe the observed solubility behavior of pyrene in qua- 2 1 ternary benzene + hexane + 1-hexanol + methylcyclohexane, 293 0.9900 0.0100 298 0.9896 0.0104 quaternary ethylbenzene + hexane + 1-hexanol + methylcy- 303 0.9877 0.0123 clohexane and pentinary benzene + ethylbenzene + hexane + 308 0.9871 0.0129 1-hexanol + methylcyclohexane to within a deviation of 15% 313 0.9843 0.0157 or less using interaction parameters calculated from the mea- 318 0.9819 0.0181 ax sured pyrene solubilities in the contributing sub-binary solvent 2: mole fraction of component 2 in the saturated solution. bx systems. The authors further noted that plots of the natural 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). logarithm of the mole fraction solubility versus reciprocal temperature (e.g., ln x versus 1/T) resulted in linear plots 1 Auxiliary Information having squared correlation coefficients of R2 ¼ 0.96 to R2 ¼ 0.99 as would be expected for internally consistent experi- Method/Apparatus/Procedure: mental solubility data. Ali74 had previously measured the Constant-temperature bath, gas chromatograph equipped with a flame ionization detector and an uv/visible spectrophotometer. solubility of pyrene in octane, 2,2,4-trimethylpentane, 1,4- Saturated solutions were prepared by placing excess solute in glass bottles dimethylbenzene and 1-octanol. Also tabulated in Table 6 are containing the solvent. Samples were equilibrated in a constant temperature the equation coefficients for the Apelblat equation and the with shaking for at least three days, followed by a three-day period in which the corresponding RMSDs for these latter nine pyrene–organic solid was allowed to settle to the bottom of the container. Aliquots were solvent systems. transferred to tared volumetric flasks, weighed and then diluted with the solvent for spectrophotometric analysis. Concentrations of the dilute solutions The experimental solubility data for pyrene in the different were determined from absorbance versus concentration curves based on organic solvents are given in Secs. 13.2–13.10. absorbance measurements for standard solutions of known concentration. The spectrophotometric results were verified by gas chromatographic analyses.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Source and Purity of Chemicals: Experimental Values (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of 99% purity. (2) 99.9+%, chemical source not given, no purification details were provided in (s)a b c x2 x2 x1 the paper. 1.0000 0.9832 0.01678 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: <3.0% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: / / 74 Method Apparatus Procedure: (1) Pyrene; C16H10; [129-00-0] S. H. Ali, Fluid Phase Equilib. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Octane; C8H18; [111-65-9] 264, 29 (2008). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to Temperature W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. a b T/K x2 x1 Source and Purity of Chemicals: 293 0.9844 0.0156 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 298 0.9831 0.0169 recrystallized several times from methanol. 303 0.9805 0.0195 (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves and 308 0.9781 0.0219 distilled shortly before use. 313 0.9741 0.0259 318 0.9710 0.0290 Estimated Error: ax 2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: 45 Constant-temperature bath, gas chromatograph equipped with a flame (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández and ionization detector and an uv/visible spectrophotometer. (2) Decane; C10H22; [124-18-5] W. E. Acree, Jr., Polycyclic Saturated solutions were prepared by placing excess solute in glass bottles Aromat. Compd. 13, 205 (1999). containing the solvent. Samples were equilibrated in a constant temperature Variables: Prepared by: with shaking for at least three days, followed by a three-day period in which the T/K ¼ 299.15 W. E. Acree, Jr. solid was allowed to settle to the bottom of the container. Aliquots were transferred to tared volumetric flasks, weighed and then diluted with the solvent for spectrophotometric analysis. Concentrations of the dilute solutions Experimental Values were determined from absorbance versus concentration curves based on absorbance measurements for standard solutions of known concentration. The spectrophotometric results were verified by gas chromatographic analyses. (s)a b c x2 x2 x1 1.0000 0.9806 0.01936 Source and Purity of Chemicals: a (s) (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of x2 : initial mole fraction of component 2 in the solution. b 99% purity. x2: mole fraction of component 2 in the saturated solution. c (2) 99.9+%, Fluka, no purification details were provided in the paper. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: <3.0% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 45 (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and Excess solute and solvent were placed in amber glass bottles and allowed to (2) Nonane; C9H20; [111-84-2] W. E. Acree, Jr., Polycyclic equilibrate for several days at constant temperature. Attainment of equilibrium Aromat. Compds. 13, 205 (1999). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T ¼ /K 299.15 W. E. Acree, Jr. diluted with ethanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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Source and Purity of Chemicals: Components: Original Measurements: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 17 recrystallized several times from methanol. (1) Pyrene; C16H10; [129-00-0] M. H. Abraham and W. E. (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves and (2) Dodecane; C12H26; [112-40-3] Acree, Jr., New J. Chem. 28, 1538 distilled shortly before use. (2004). Variables: Prepared by: Estimated Error: T/K ¼ 299.15 W. E. Acree, Jr. Temperature: 0.1 K. x1: 1.5% (relative error). Experimental Values
x (s)a x b x c Components: Original Measurements: 2 2 1 17 (1) Pyrene; C16H10; [129-00-0] M. H. Abraham and W. E. 1.0000 0.9756 0.02439 (2) Undecane; C11H24; [1120-21-4] Acree, Jr., New J. Chem. 28, 1538 a (s) x2 : initial mole fraction of component 2 in the solution. (2004). b x2: mole fraction of component 2 in the saturated solution. cx Variables: Prepared by: 1: mole fraction solubility of the solute. T/K ¼ 299.15 W. E. Acree, Jr.
Experimental values were reported as the logarithm of the Experimental Values solute’s molar solubility in dodecane divided by the molar solubility in water. Mole fraction solubilities were provided by (s)a b c x2 x2 x1 the authors of the paper. 1.0000 0.9779 0.02213 a (s) x2 : initial mole fraction of component 2 in the solution. Auxiliary Information bx 2: mole fraction of component 2 in the saturated solution. Method/Apparatus/Procedure: cx 1: mole fraction solubility of the solute. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Experimental values were reported as the logarithm of the equilibrate for several days at constant temperature. Attainment of equilibrium solute’s molar solubility in undecane divided by the molar was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were solubility in water. Mole fraction solubilities were provided by transferred through a coarse filter into tared volumetric flasks, weighed and the authors of the paper. diluted with ethanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Auxiliary Information Source and Purity of Chemicals: / / Method Apparatus Procedure: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ recrystallized several times from methanol. visible spectrophotometer. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Estimated Error: was verified by several repetitive measurements and by approaching Temperature: 0.1 K. equilibrium from supersaturation. Aliquots of saturated solutions were x1: 1.5% (relative error). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with ethanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
Components: Original Measurements: Source and Purity of Chemicals: 45 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and recrystallized several times from methanol. (2) Hexadecane; C16H34; [544-76-3] W. E. Acree, Jr., Polycyclic (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. Aromat. Compd. 13, 205 (1999). Variables: Prepared by: Estimated Error: T/K ¼ 299.15 W. E. Acree, Jr. Temperature: 0.1 K. x1: 1.5% (relative error). Experimental Values
(s)a b c x2 x2 x1 1.0000 0.9657 0.03431 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-172 WILLIAM E. ACREE, JR.
Auxiliary Information Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, no purification / / Method Apparatus Procedure: details were given in the paper. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 99%, Aldrich Chemical Company, purification details were not given in the visible spectrophotometer. paper. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Estimated Error: was verified by several repetitive measurements and by approaching Temperature: Authors state a global accuracy of 1% regarding their equilibrium from supersaturation. Aliquots of saturated solutions were measurements. transferred through a coarse filter into tared volumetric flasks, weighed and x1: 0.0002 (estimated by compiler). diluted with ethanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was Components: Original Measurements: 73 recrystallized several times from methanol. (1) Pyrene; C16H10; [129-00-0] S. H. Ali and O. A. Al-Rashed, (2) 99%, Aldrich Chemical Company, stored over molecular sieves and (2) Methylcyclohexane; C7H14; Fluid Phase Equilib. 281, 133 distilled shortly before use. [108-87-2] (2009). Variables: Prepared by: Estimated Error: Temperature W. E. Acree, Jr. Temperature: 0.1 K. x1: 1.5% (relative error). Experimental Values
T x a x b Components: Original Measurements: /K 2 1 15 (1) Pyrene; C16H10; [129-00-0] A. Aoulmi, M. Bouroukba, R. 293 0.9850 0.0150 (2) Octacosane; C28H58; [630-02-4] Solimando, and M. Rogalski, Fluid 298 0.9842 0.0158 Phase Equilib. 110, 283 (1995). 303 0.9814 0.0186 308 0.9763 0.0237 Variables: Prepared by: 313 0.9723 0.0277 Temperature W. E. Acree, Jr. 318 0.9711 0.0289 a x2: mole fraction of component 2 in the saturated solution. b Experimental Values x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
a b T/K x2 x1 333.91 1.0000 0.0000 Auxiliary Information 333.64 0.8810 0.1190 333.54 0.7577 0.2423 Method/Apparatus/Procedure: 344.00 0.6993 0.3007 Constant-temperature bath, gas chromatograph equipped with a flame 370.57 0.5965 0.4035 ionization detector and an uv/visible spectrophotometer. 387.15 0.4994 0.5006 Saturated solutions were prepared by placing excess solute in glass bottles 398.87 0.4001 0.5999 containing the solvent. Samples were equilibrated in a constant temperature 407.36 0.2998 0.7002 with shaking for at least three days, followed by a three-day period in which the 414.52 0.2000 0.8000 solid was allowed to settle to the bottom of the container. Aliquots were 418.36 0.1001 0.8999 transferred to tared volumetric flasks, weighed and then diluted with the 422.65 0.0000 1.0000 solvent for spectrophotometric analysis. Concentrations of the dilute solutions a were determined from absorbance versus concentration curves based on x2: mole fraction of component 2 in the saturated solution. bx : mole fraction of the polycyclic aromatic hydrocarbon (component 1). absorbance measurements for standard solutions of known concentration. The 1 spectrophotometric results were verified by gas chromatographic analyses.
Source and Purity of Chemicals: The authors employed a SSF to describe the activity coeffi- (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of cients of pyrene and octacosane calculated from the solid- 99% purity. liquid equilibrium data. The SSF model gave a calculated (2) 99.9+%, chemical source not given, no purification details were provided in eutectic temperature of T/K ¼ 330.6 and eutectic mole fraction the paper. x ¼ of pyrene of 1 0.218. Estimated Error: Temperature: 0.1 K. x Auxiliary Information 1: <3.0% (relative error). Method/Apparatus/Procedure: Differential scanning calorimeter. The phase diagram was determined using a differential scanning calorimeter. Measurements were performed at a constant fixed scanning rate of 0.5 K/min.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-173
Auxiliary Information Components: Original Measurements: 74 (1) Pyrene; C16H10; [129-00-0] S. H. Ali, Fluid Phase Equilib. Method/Apparatus/Procedure: (2) 2,2,4-Trimethylpentane; C8H18; 264, 29 (2008). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [540-84-1] visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. T/K x a x b 2 1 Source and Purity of Chemicals: 293 0.9927 0.0073 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 298 0.9914 0.0086 recrystallized several times from methanol. 303 0.9896 0.0104 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 308 0.9880 0.0120 313 0.9865 0.0135 Estimated Error: 318 0.9854 0.0146 Temperature: 0.1 K. a x x2: mole fraction of component 2 in the saturated solution. 1: 1.5% (relative error). b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Auxiliary Information Components: Original Measurements: (1) Pyrene; C H ; [129-00-0] 15A. Aoulmi, M. Bouroukba, R. Method/Apparatus/Procedure: 16 10 (2) Squalane; C H ; [111-01-3] Solimando, and M. Rogalski, Fluid Constant-temperature bath, gas chromatograph equipped with a flame 30 62 Phase Equilib. 110, 283 (1995). ionization detector and an uv/visible spectrophotometer. Saturated solutions were prepared by placing excess solute in glass bottles Variables: Prepared by: containing the solvent. Samples were equilibrated in a constant temperature Temperature W. E. Acree, Jr. with shaking for at least three days, followed by a three-day period in which the solid was allowed to settle to the bottom of the container. Aliquots were transferred to tared volumetric flasks, weighed and then diluted with the Experimental Values solvent for spectrophotometric analysis. Concentrations of the dilute solutions were determined from absorbance versus concentration curves based on a b absorbance measurements for standard solutions of known concentration. The T/K x2 x1 spectrophotometric results were verified by gas chromatographic analyses. 345.75 0.8480 0.1520 361.35 0.7971 0.2029 Source and Purity of Chemicals: 380.15 0.6984 0.3016 (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of 392.65 0.5943 0.4057 99% purity. 400.15 0.4996 0.5004 (2) 99.9+%, Fluka, no purification details were provided in the paper. 405.35 0.4005 0.5995 410.45 0.2999 0.7001 Estimated Error: 413.85 0.2004 0.7996 Temperature: 0.1 K. 415.35 0.1491 0.8509 x 1: <3.0% (relative error). 416.95 0.1070 0.8930 419.45 0.0505 0.9495 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Components: Original Measurements: 10 (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. (2) Squalane; C30H62; [111-01-3] Abraham, Fluid Phase Equilib. 201, 245 (2002). The authors employed a SSF to describe the activity coeffi- cients of pyrene and squalane calculated from the solid-liquid Variables: Prepared by: T/K ¼ 299.15 W. E. Acree, Jr. equilibrium data. The SSF model gave a calculated eutectic temperature of T/K ¼ 243.1 and eutectic mole fraction of pyrene of x1 ¼ 0.006. Experimental Values
(s) x2 x2 x1 1.0000 0.9622 0.03776 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-174 WILLIAM E. ACREE, JR.
Auxiliary Information Source and Purity of Chemicals: (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of / / Method Apparatus Procedure: 99% purity. ’ Simple thermal analysis device constructed in the authors laboratory, and a (2) 99.9+%, chemical source not given, no purification details were provided in high precision platinum-resistance thermometer. the paper. The phase diagram was determined using a simple thermal device. A sample of known composition was placed in a thermostatted glass tube, melted and then Estimated Error: slowly cooled at a rate of about 1 K/min. The temperature of the sample was Temperature: 0.1 K. measured with a high precision platinum-resistance thermometer. The x1: <3.0% (relative error). crystallization temperature was obtained from a plot of the cooling curve versus time. Each measurement was repeated three times.
Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, no purification Components: Original Measurements: 71 details were given in the paper. (1) Pyrene; C16H10; [129-00-0] Q. Yu, X. Ma, and L. Xu, Fluid (2) 99%, Aldrich Chemical Company, purification details were not given in the (2) Methylbenzene; C7H8; [108-88-3] Phase Equilib. 319, 5 (2012). paper. Variables: Prepared by: Temperature W. E. Acree, Jr. Estimated Error: Temperature: Authors state a global accuracy of 1% regarding their measurements. Experimental Values x1: 0.0002 (estimated by compiler).
a b T/K x2 x1 295.35 0.9389 0.0611 13.3. Pyrene solubility data in aromatic 303.75 0.9243 0.0757 hydrocarbons 308.65 0.9134 0.0866 313.55 0.9050 0.0950 318.45 0.8900 0.1100 323.35 0.8780 0.1220 Components: Original Measurements: 328.15 0.8600 0.1400 73 (1) Pyrene; C16H10; [129-00-0] S. H. Ali and O. A. Al-Rashed, 333.15 0.8355 0.1645 (2) Benzene; C6H6; [71-43-2] Fluid Phase Equilib. 281, 133 a x2: mole fraction of component 2 in the saturated solution. (2009). b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Variables: Prepared by: Temperature W. E. Acree, Jr.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, oven and electronic balance. T/K x a x b 2 1 Saturated solutions were prepared by placing excess solute in a cylindrical 293 0.9416 0.0584 double-jacketed glass vial. The solution was equilibrated at constant 298 0.9290 0.0710 temperature with continuous stirring for at least 4 h. The stirring was 303 0.9151 0.0849 discontinued and the solution was allowed to stand for 3 h. An aliquot of the 308 0.8936 0.1064 upper clear solution was removed, filtered through a 0.45 μm membrane, and 313 0.8687 0.1313 transferred to a tared double dish. The double dish and contents were quickly 318 0.8383 0.1617 weighed. The solvent in the double dish was evaporated, dried at 325 K and a x2: mole fraction of component 2 in the saturated solution. then reweighed. The solubility was determined from the mass of the solid b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). residue and the mass of the sample analyzed. Measurements were performed in triplicate.
Source and Purity of Chemicals: (1) 99%, Alfa Aesar Reagent Company, was recrystallized twice from Auxiliary Information propanone. (2) 99.9+%, Tianjin Kemel Chemical, China, was used as received. Method/Apparatus/Procedure: Constant-temperature bath, gas chromatograph equipped with a flame Estimated Error: ionization detector and an uv/visible spectrophotometer. Temperature: 0.1 K. Saturated solutions were prepared by placing excess solute in glass bottles x : <1.0% (relative error). containing the solvent. Samples were equilibrated in a constant temperature 1 with shaking for at least three days, followed by a three-day period in which the solid was allowed to settle to the bottom of the container. Aliquots were transferred to tared volumetric flasks, weighed and then diluted with the solvent for spectrophotometric analysis. Concentrations of the dilute solutions were determined from absorbance versus concentration curves based on absorbance measurements for standard solutions of known concentration. The spectrophotometric results were verified by gas chromatographic analyses.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-175
Auxiliary Information Components: Original Measurements: 61 (1) Pyrene; C16H10; [129-00-0] C. E. Hernández, K. M. De Fina, Method/Apparatus/Procedure: (2) Ethylbenzene; C8H10; [100-41-4] L. E. Roy, T. L. Sharp, and W. E. Constant-temperature bath, gas chromatograph equipped with a flame Acree, Jr., Can. J. Chem. 77, 1465 ionization detector and an uv/visible spectrophotometer. (1999). Saturated solutions were prepared by placing excess solute in glass bottles containing the solvent. Samples were equilibrated in a constant temperature Variables: Prepared by: with shaking for at least three days, followed by a three-day period in which the T/K ¼ 299.15 W. E. Acree, Jr. solid was allowed to settle to the bottom of the container. Aliquots were transferred to tared volumetric flasks, weighed and then diluted with the Experimental Values solvent for spectrophotometric analysis. Concentrations of the dilute solutions were determined from absorbance versus concentration curves based on absorbance measurements for standard solutions of known concentration. The (s)a b c spectrophotometric results were verified by gas chromatographic analyses. x2 x2 x1 1.0000 0.9358 0.06424 Source and Purity of Chemicals: a (s) x2 : initial mole fraction of component 2 in the solution. (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of b x2: mole fraction of component 2 in the saturated solution. 99% purity. c x1: mole fraction solubility of the solute. (2) 99.9+%, chemical source not given, no purification details were provided in the paper.
Auxiliary Information Estimated Error: Temperature: 0.1 K. / / Method Apparatus Procedure: x1: <3.0% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: was verified by several repetitive measurements and by approaching (1) Pyrene; C H ; [129-00-0] 74S. H. Ali, Fluid Phase Equilib. equilibrium from supersaturation. Aliquots of saturated solutions were 16 10 (2) 1,4-Dimethylbenzene; C H ; 264, 29 (2008). transferred through a coarse filter into tared volumetric flasks, weighed and 8 10 [106-42-3] diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Variables: Prepared by: Temperature W. E. Acree, Jr. Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use. a b T/K x2 x1 Estimated Error: 293 0.9223 0.0777 Temperature: 0.1 K. 298 0.9137 0.0863 x 1: 1.5% (relative error). 303 0.9024 0.0976 308 0.8907 0.1093 313 0.8764 0.1236 318 0.8633 0.1367 Components: Original Measurements: a x2: mole fraction of component 2 in the saturated solution. (1) Pyrene; C H ; [129-00-0] 73S. H. Ali and O. A. Al-Rashed, b 16 10 x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (2) Ethylbenzene; C8H10; [100-41-4] Fluid Phase Equilib. 281, 133 (2009). Variables: Prepared by: Temperature W. E. Acree, Jr. Auxiliary Information Method/Apparatus/Procedure: Experimental Values Constant-temperature bath, gas chromatograph equipped with a flame ionization detector and an uv/visible spectrophotometer. Saturated solutions were prepared by placing excess solute in glass bottles a b T/K x2 x1 containing the solvent. Samples were equilibrated in a constant temperature 293 0.9349 0.0651 with shaking for at least three days, followed by a three-day period in which the 298 0.9224 0.0776 solid was allowed to settle to the bottom of the container. Aliquots were 303 0.9056 0.0944 transferred to tared volumetric flasks, weighed and then diluted with the 308 0.8776 0.1224 solvent for spectrophotometric analysis. Concentrations of the dilute solutions 313 0.8353 0.1647 were determined from absorbance versus concentration curves based on 318 0.8290 0.1710 absorbance measurements for standard solutions of known concentration. The a spectrophotometric results were verified by gas chromatographic analyses. x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-176 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of 99% purity. (2) 99.9+%, Fluka, no purification details were provided in the paper. a b T/K x2 x1 295.35 0.9634 0.0366 Estimated Error: 298.75 0.9602 0.0398 Temperature: 0.1 K. 303.75 0.9544 0.0456 x : <3.0% (relative error). 1 308.65 0.9486 0.0514 313.45 0.9418 0.0582 318.45 0.9349 0.0651 323.35 0.9264 0.0736 13.4. Pyrene solubility data in esters 328.15 0.9114 0.0886 333.15 0.8981 0.1019 a x2: mole fraction of component 2 in the saturated solution. b Components: Original Measurements: x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). 10 (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. (2) Methyl ethanoate; C3H6O2; Abraham, Fluid Phase Equilib. [79-20-9] 201, 245 (2002).
Variables: Prepared by: Auxiliary Information T/K ¼ 299.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Constant-temperature bath, oven and electronic balance. Experimental Values Saturated solutions were prepared by placing excess solute in a cylindrical double-jacketed glass vial. The solution was equilibrated at constant temperature with continuous stirring for at least 4 h. The stirring was (s)a b c discontinued and the solution was allowed to stand for 3 h. An aliquot of the x2 x2 x1 upper clear solution was removed, filtered through a 0.45 μm membrane, and 1.0000 0.9670 0.03296 transferred to a tared double dish. The double dish and contents were quickly a (s) x2 : initial mole fraction of component 2 in the solution. weighed. The solvent in the double dish was evaporated, dried at 325 K and bx 2: mole fraction of component 2 in the saturated solution. then reweighed. The solubility was determined from the mass of the solid c x1: mole fraction solubility of the solute. residue and the mass of the sample analyzed. Measurements were performed in triplicate.
Source and Purity of Chemicals: (1) 99%, Alfa Aesar Reagent Company, was recrystallized twice from Auxiliary Information propanone. Method/Apparatus/Procedure: (2) 99.9+%, Tianjin Kemel Chemical, China, was used as received. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Estimated Error: Excess solute and solvent were placed in amber glass bottles and allowed to Temperature: 0.1 K. x equilibrate for several days at constant temperature. Attainment of equilibrium 1: <1.3% (relative error). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Components: Original Measurements: spectrophotometric measurements at 372 nm. (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr., (2) Pentyl ethanoate; C7H14O2; [628-63-7] unpublished data. Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Variables: Prepared by: T ¼ recrystallized several times from methanol. /K 299.15 W. E. Acree, Jr. (2) 99.5%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use. Experimental Values Estimated Error: Temperature: 0.1 K. (s)a b c x2 x2 x1 x1: 1.5% (relative error). 1.0000 0.9292 0.07077 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Components: Original Measurements: x1: mole fraction solubility of the solute. 71 (1) Pyrene; C16H10; [129-00-0] Q. Yu, X. Ma, and L. Xu, (2) Ethyl ethanoate; C4H8O2; [141-78-6] Fluid Phase Equilib. 319,5 (2012). Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-177
Auxiliary Information Components: Original Measurements:
Method/Apparatus/Procedure: (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Dibutyl oxalate; C10H18O4; [2050-60-4] unpublished data. visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 299.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.8891 0.1109 a (s) (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 : initial mole fraction of component 2 in the solution. b recrystallized several times from methanol. x2: mole fraction of component 2 in the saturated solution. c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer.
(1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to (2) Methyl butanoate; C5H10O2; [623-42-7] unpublished data. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 299.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9463 0.05367 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information 13.5. Pyrene solubility data in ethers Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to (1) Pyrene; C H ; [129-00-0] 10W. E. Acree, Jr. and M. H. equilibrate for several days at constant temperature. Attainment of equilibrium 16 10 (2) 1,1′-Oxybisethane; C H O; [60-29-7] Abraham, Fluid Phase was verified by several repetitive measurements and by approaching 4 10 Equilib. 201, 245 (2002). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with 2-propanol. Concentrations were determined by T/K ¼ 299.15 W. E. Acree, Jr. spectrophotometric measurements at 372 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2 x2 x1 1.0000 0.9713 0.02865 Estimated Error: ax (s) Temperature: 0.1 K. 2 : initial mole fraction of component 2 in the solution. bx x % 2: mole fraction of component 2 in the saturated solution. 1: 1.5 (relative error). c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-178 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 10 Method/Apparatus/Procedure: (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methoxy-2-methylpropane; Abraham, Fluid Phase Equilib. visible spectrophotometer. C5H12O; [1634-04-4] 201, 245 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9757 0.02432 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2: mole fraction of component 2 in the saturated solution. c sieves before use. x1: mole fraction solubility of the solute.
Estimated Error: The published value was given as molar solubility of pyrene Temperature: 0.1 K. in 2-methoxy-2-methylpropane (also called methyl tert-butyl x1: 1.5% (relative error). ether). The mole fraction solubility was provided by the authors of the paper.
Components: Original Measurements: Auxiliary Information 10 (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. Method/Apparatus/Procedure: ′ (2) 2,2 -Oxybispropane; C6H14O; Abraham, Fluid Phase Equilib. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [108-20-3] 201, 245 (2002). visible spectrophotometer. Variables: Prepared by: Excess solute and solvent were placed in amber glass bottles and allowed to T/K ¼ 299.15 W. E. Acree, Jr. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9798 0.02015 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was ax (s) 2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. bx 2: mole fraction of component 2 in the saturated solution. (2) 99.9+%, Arco Chemical Company, USA, stored over molecular sieves cx 1: mole fraction solubility of the solute. before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Components: Original Measurements: 10 was verified by several repetitive measurements and by approaching (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. equilibrium from supersaturation. Aliquots of saturated solutions were (2) Tetrahydrofuran; C4H8O; [109-99-9] Abraham, Fluid Phase transferred through a coarse filter into tared volumetric flasks, weighed and Equilib. 201, 245 (2002). diluted with 2-propanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 372 nm. T/K ¼ 299.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.8598 0.1402 Estimated Error: ax (s) Temperature: 0.1 K. 2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-179
Auxiliary Information Source and Purity of Chemicals: (1) 99%, Alfa Aesar Reagent Company, was recrystallized twice from / / Method Apparatus Procedure: propanone. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 99.9+%, Tianjin Kemel Chemical, China, was used as received. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Estimated Error: equilibrate for several days at constant temperature. Attainment of equilibrium Temperature: 0.1 K. was verified by several repetitive measurements and by approaching x1: <5% (relative error). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Components: Original Measurements: 10 Source and Purity of Chemicals: (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (2) 1,4-Dioxane; C4H8O2; [123-91-1] Abraham, Fluid Phase recrystallized several times from methanol. Equilib. 201, 245 (2002). (2) 99.9%, anhydrous, Aldrich Chemical Company, stored over molecular Variables: Prepared by: sieves before use. T/K ¼ 299.15 W. E. Acree, Jr.
Estimated Error: Temperature: 0.1 K. Experimental Values x1: 1.5% (relative error).
(s)a b c x2 x2 x1 1.0000 0.9232 0.07676 Components: Original Measurements: ax (s) 71 2 : initial mole fraction of component 2 in the solution. (1) Pyrene; C16H10; [129-00-0] Q. Yu, X. Ma, and L. Xu, Fluid b x2: mole fraction of component 2 in the saturated solution. (2) Tetrahydrofuran; C4H8O; [109-99-9] Phase Equilib. 319, 5 (2012). c x1: mole fraction solubility of the solute. Variables: Prepared by: Temperature W. E. Acree, Jr. The solubility was re-measured because an earlier published 72 Experimental Values value was out of line with observed pyrene solubility data for other ethers. The authors suspected that a twofold dilution had been missed when converting the earlier set of measured T x a x b /K 2 1 absorbances to mole fraction solubilities. 295.35 0.8653 0.1347 298.75 0.8573 0.1427 Auxiliary Information 303.75 0.8484 0.1516 308.65 0.8345 0.1655 Method/Apparatus/Procedure: 313.45 0.8199 0.1801 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 318.45 0.8005 0.1995 visible spectrophotometer. 323.35 0.7864 0.2136 Excess solute and solvent were placed in amber glass bottles and allowed to 328.15 0.7668 0.2332 equilibrate for several days at constant temperature. Attainment of equilibrium 333.15 0.7477 0.2523 was verified by several repetitive measurements and by approaching a equilibrium from supersaturation. Aliquots of saturated solutions were x2: mole fraction of component 2 in the saturated solution. b transferred through a coarse filter into tared volumetric flasks, weighed and x : mole fraction of the polycyclic aromatic hydrocarbon (component 1). 1 diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
Source and Purity of Chemicals: Auxiliary Information (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. / / Method Apparatus Procedure: (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular Constant-temperature bath, oven and electronic balance. sieves before use. Saturated solutions were prepared by placing excess solute in a cylindrical double-jacketed glass vial. The solution was equilibrated at constant Estimated Error: temperature with continuous stirring for at least 4 h. The stirring was Temperature: 0.1 K. discontinued and the solution was allowed to stand for 3 h. An aliquot of the x1: 1.5% (relative error). upper clear solution was removed, filtered through a 0.45 μm membrane, and transferred to a tared double dish. The double dish and contents were quickly weighed. The solvent in the double dish was evaporated, dried at 325 K and then reweighed. The solubility was determined from the mass of the solid residue and the mass of the sample analyzed. Measurements were performed in triplicate.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-180 WILLIAM E. ACREE, JR.
13.6. Pyrene solubility data in haloalkanes, Auxiliary Information haloalkenes, and haloaromatic hydrocarbons Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium (1) Pyrene; C H ; [129-00-0] 45L. E. Roy, C. E. Hernández, and 16 10 was verified by several repetitive measurements and by approaching (2) 1-Chlorohexane; C H Cl; W. E. Acree, Jr., Polycyclic 6 13 equilibrium from supersaturation. Aliquots of saturated solutions were [544-10-5] Aromat. Compd. 13, 205 (1999). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 299.15 W. E. Acree, Jr. spectrophotometric measurements at 372 nm.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and (s)a b c x2 x2 x1 distilled shortly before use. 1.0000 0.9244 0.07557 Estimated Error: ax (s): initial mole fraction of component 2 in the solution. 2 Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 45 (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Chlorocyclohexane; C6H11Cl; W. E. Acree, Jr., Polycyclic visible spectrophotometer. [542-18-7] Aromat. Compd. 13, 205 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 299.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 372 nm.
x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9337 0.06625 recrystallized several times from methanol. a (s) x2 : initial mole fraction of component 2 in the solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and b x2: mole fraction of component 2 in the saturated solution. distilled shortly before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. Auxiliary Information x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 45 (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1-Chlorooctane; C8H17Cl; W. E. Acree, Jr., Polycyclic was verified by several repetitive measurements and by approaching [111-85-3] Aromat. Compd. 13, 205 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T ¼ /K 299.15 W. E. Acree, Jr. spectrophotometric measurements at 372 nm.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and x (s)a x b x c 2 2 1 distilled shortly before use. 1.0000 0.9140 0.08601 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. c x1: 1.5% (relative error). x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-181
Components: Original Measurements: Experimental Values 22 (1) Pyrene; C16H10; [129-00-0] M. H. Abraham, W. E. Acree, (2) Fluorobenzene; C H F; [462-06-6] Jr., A. J. Leo, and D. Hoekman, 6 5 x (s)a x b x c New J. Chem. 33, 1685 (2009). 2 2 1 1.0000 0.9624 0.03756 Variables: Prepared by: ax (s) T/K ¼ 299.15 W. E. Acree, Jr. 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Experimental Values x (s)a x b x c 2 2 1 Auxiliary Information 1.0000 0.9383 0.06168 Method/Apparatus/Procedure: ax (s): initial mole fraction of component 2 in the solution. 2 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ bx : mole fraction of component 2 in the saturated solution. 2 visible spectrophotometer. cx : mole fraction solubility of the solute. 1 Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching The experimental value was reported as the logarithm of equilibrium from supersaturation. Aliquots of saturated solutions were pyrene’s molar solubility in fluorobenzene dissolved by the transferred through a coarse filter into tared volumetric flasks, weighed and solute’s molar solubility in water. Experimental mole fraction diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. solubility was obtained from the authors. Source and Purity of Chemicals: Auxiliary Information (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. / / Method Apparatus Procedure: (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Estimated Error: Excess solute and solvent were placed in amber glass bottles and allowed to Temperature: 0.1 K. equilibrate for several days at constant temperature. Attainment of equilibrium x1: 1.5% (relative error). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. 13.7. Pyrene solubility data in alcohols
Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was Components: Original Measurements: recrystallized several times from methanol. 71 (1) Pyrene; C16H10; [129-00-0] Q. Yu, X. Ma, and L. Xu, Fluid (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. (2) Methanol; CH4O; [67-56-1] Phase Equilib. 319, 5 (2012). Estimated Error: Variables: Prepared by: Temperature: 0.1 K. Temperature W. E. Acree, Jr. x1: 1.5% (relative error).
Experimental Values
Components: Original Measurements: a b T/K x2 x1 (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr., 293.95 0.9987 0.00127 (2) (Trifluoromethyl)benzene; C7H5F3; unpublished data. [98-08-8] 298.35 0.9985 0.00149 303.85 0.9983 0.00170 Variables: Prepared by: 308.65 0.9980 0.00202 T/K ¼ 299.15 W. E. Acree, Jr. 313.35 0.9978 0.00223 318.35 0.9974 0.00262 323.35 0.9971 0.00288 328.15 0.9966 0.00341 333.15 0.9962 0.00379 a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-182 WILLIAM E. ACREE, JR.
Auxiliary Information Source and Purity of Chemicals: (1) 99%, Alfa Aesar Reagent Company, was recrystallized twice from / / Method Apparatus Procedure: propanone. Constant-temperature bath, oven and electronic balance. (2) 99.9+%, Tianjin Kemel Chemical, China, was used as received. Saturated solutions were prepared by placing excess solute in a cylindrical double-jacketed glass vial. The solution was equilibrated at constant Estimated Error: temperature with continuous stirring for at least 4 h. The stirring was Temperature: 0.1 K. discontinued and the solution was allowed to stand for 3 h. An aliquot of the x1: <1.3% (relative error). upper clear solution was removed, filtered through a 0.45 μm membrane, and transferred to a tared double dish. The double dish and contents were quickly weighed. The solvent in the double dish was evaporated, dried at 325 K, and then reweighed. The solubility was determined from the mass of the solid residue and the mass of the sample analyzed. Measurements were performed in Components: Original Measurements: 71 triplicate. (1) Pyrene; C16H10; [129-00-0] Q. Yu, X. Ma, and L. Xu, Fluid (2) 1-Propanol; C3H8O; [71-23-8] Phase Equilib. 319, 5 (2012). Source and Purity of Chemicals: Variables: Prepared by: (1) 99%, Alfa Aesar Reagent Company, was recrystallized twice from Temperature W. E. Acree, Jr. propanone. (2) 99.9+%, Tianjin Kemel Chemical, China, was used as received. Experimental Values Estimated Error: Temperature: 0.1 K. x : <5% (relative error). a b 1 T/K x2 x1 283.25 0.9973 0.00268 290.05 0.9966 0.00342 296.95 0.9960 0.00404 Components: Original Measurements: 303.75 0.9950 0.00499 71 (1) Pyrene; C16H10; [129-00-0] Q. Yu, X. Ma, and L. Xu, Fluid 310.85 0.9939 0.00607 (2) Ethanol; C2H6O; [64-17-5] Phase Equilib. 319, 5 (2012). 317.55 0.9924 0.00761 323.55 0.9907 0.00930 Variables: Prepared by: 331.35 0.9882 0.01179 Temperature W. E. Acree, Jr. a x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). Experimental Values
Auxiliary Information a b T/K x2 x1 Method/Apparatus/Procedure: 299.55 0.9971 0.00294 Constant-temperature bath, oven and electronic balance. 298.85 0.9968 0.00321 Saturated solutions were prepared by placing excess solute in a cylindrical 303.75 0.9964 0.00363 double-jacketed glass vial. The solution was equilibrated at constant 308.75 0.9958 0.00424 temperature with continuous stirring for at least 4 h. The stirring was 313.55 0.9952 0.00479 discontinued and the solution was allowed to stand for 3 h. An aliquot of the 318.45 0.9946 0.00536 upper clear solution was removed, filtered through a 0.45 μm membrane, and 323.45 0.9937 0.00628 transferred to a tared double dish. The double dish and contents were quickly 328.15 0.9928 0.00720 weighed. The solvent in the double dish was evaporated, dried at 325 K and 333.15 0.9918 0.00820 then reweighed. The solubility was determined from the mass of the solid a x2: mole fraction of component 2 in the saturated solution. residue and the mass of the sample analyzed. Measurements were performed in b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). triplicate.
Source and Purity of Chemicals: (1) 99%, Alfa Aesar Reagent Company, was recrystallized twice from propanone. Auxiliary Information (2) 99.9+%, Tianjin Kemel Chemical, China, was used as received. Method/Apparatus/Procedure: Constant-temperature bath, oven and electronic balance. Estimated Error: Saturated solutions were prepared by placing excess solute in a cylindrical Temperature: 0.1 K. x double-jacketed glass vial. The solution was equilibrated at constant 1: <4% (relative error). temperature with continuous stirring for at least 4 h. The stirring was discontinued and the solution was allowed to stand for 3 h. An aliquot of the upper clear solution was removed, filtered through a 0.45 μm membrane, and transferred to a tared double dish. The double dish and contents were quickly Components: Original Measurements: 71 weighed. The solvent in the double dish was evaporated, dried at 325 K, and (1) Pyrene; C16H10; [129-00-0] Q. Yu, X. Ma, and L. Xu, Fluid then reweighed. The solubility was determined from the mass of the solid (2) 2-Propanol; C3H8O; [67-63-0] Phase Equilib. 319, 5 (2012). residue and the mass of the sample analyzed. Measurements were performed in triplicate. Variables: Prepared by: Temperature W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-183
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T/K x a x b 2 1 visible spectrophotometer. 283.35 0.9980 0.00201 Excess solute and solvent were placed in amber glass bottles and allowed to 290.05 0.9976 0.00242 equilibrate for several days at constant temperature. Attainment of equilibrium 296.95 0.9971 0.00292 was verified by several repetitive measurements and by approaching 300.85 0.9965 0.00350 equilibrium from supersaturation. Aliquots of saturated solutions were 307.85 0.9958 0.00420 transferred through a coarse filter into tared volumetric flasks, weighed and 314.55 0.9947 0.00530 diluted with 2-propanol. Concentrations were determined by 321.45 0.9933 0.00667 spectrophotometric measurements at 372 nm. 328.15 0.9916 0.00835 333.15 0.9901 0.00989 Source and Purity of Chemicals: a (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2: mole fraction of component 2 in the saturated solution. b recrystallized several times from methanol. x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
Auxiliary Information x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, oven and electronic balance. Saturated solutions were prepared by placing excess solute in a cylindrical double-jacketed glass vial. The solution was equilibrated at constant Components: Original Measurements: 68 temperature with continuous stirring for at least 4 h. The stirring was (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, A.-S. M. Horton, S. A. discontinued and the solution was allowed to stand for 3 h. An aliquot of the (2) 2-Pentanol; C5H12O; Padilla, A. L. Trufant, N. U. De La upper clear solution was removed, filtered through a 0.45 μm membrane, and [6032-29-7] Sancha, E. Vela, and W. E. Acree, Jr., J. transferred to a tared double dish. The double dish and contents were quickly Chem. Eng. Data 41, 1522 (1996). weighed. The solvent in the double dish was evaporated, dried at 325 K and Variables: Prepared by: then reweighed. The solubility was determined from the mass of the solid T/K ¼ 299.15 W. E. Acree, Jr. residue and the mass of the sample analyzed. Measurements were performed in triplicate. Experimental Values Source and Purity of Chemicals: (1) 99%, Alfa Aesar Reagent Company, was recrystallized twice from propanone. (s)a b c x2 x2 x1 (2) 99.9+%, Tianjin Kemel Chemical, China, was used as received. 1.0000 0.9936 0.00640 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. c x1: <5% (relative error). x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: (1) Pyrene; C H ; [129-00-0] 10W. E. Acree, Jr. and M. H. 16 10 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-2-propanol; C H O; Abraham, Fluid Phase 4 10 visible spectrophotometer. [75-65-0] Equilib. 201, 245 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9969 0.003134 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99+%, Acros Organics, USA, stored over anhydrous sodium sulfate and bx 2: mole fraction of component 2 in the saturated solution. molecular sieves before being fractionally distilled. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-184 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 69 (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, K. S. Coym, K. A. Method/Apparatus/Procedure: (2) 2-Methyl-2-butanol; C5H12O; Fletcher, and W. E. Acree, Jr., J. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [75-85-4] Chem. Eng. Data 42, 511 (1997). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9938 0.00617 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 73 visible spectrophotometer. (1) Pyrene; C16H10; [129-00-0] S. H. Ali and O. A. Al-Rashed, Fluid Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Hexanol; C6H14O; [111-27-3] Phase Equilib. 281, 133 (2009). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching Temperature W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 372 nm.
Source and Purity of Chemicals: T/K x a x b (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 1 recrystallized several times from methanol. 293 0.9863 0.0137 (2) 99%, Acros Organics, USA, stored over anhydrous sodium sulfate and 298 0.9857 0.0143 molecular sieves before use. 303 0.9841 0.0159 308 0.9817 0.0183 Estimated Error: 313 0.9788 0.0212 Temperature: 0.1 K. 318 0.9763 0.0237 x a 1: 1.3% (relative error). x2: mole fraction of component 2 in the saturated solution. b x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1).
Components: Original Measurements: (1) Pyrene; C H ; [129-00-0] 61C. E. Hernández, K. M. De Fina, L. 16 10 Auxiliary Information (2) 1-Hexanol; C6H14O; [111-27-3] E. Roy, T. L. Sharp, and W. E. Acree, Jr., Can. J. Chem. 77, 1465 (1999). Method/Apparatus/Procedure: Constant-temperature bath, gas chromatograph equipped with a flame Variables: Prepared by: ionization detector and an uv/visible spectrophotometer T/K ¼ 299.15 W. E. Acree, Jr. Saturated solutions were prepared by placing excess solute in glass bottles containing the solvent. Samples were equilibrated in a constant temperature Experimental Values with shaking for at least three days, followed by a three-day period in which the solid was allowed to settle to the bottom of the container. Aliquots were transferred to tared volumetric flasks, weighed and then diluted with the x (s)a x b x c solvent for spectrophotometric analysis. Concentrations of the dilute solutions 2 2 1 were determined from absorbance versus concentration curves based on 1.0000 0.9873 0.01273 absorbance measurements for standard solutions of known concentration. The a (s) x2 : initial mole fraction of component 2 in the solution. spectrophotometric results were verified by gas chromatographic analyses. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Source and Purity of Chemicals: (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of 99% purity. (2) 99.9+%, chemical source not given, no purification details were provided in the paper.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-185
Estimated Error: Experimental Values Temperature: 0.1 K. x1: <3.0% (relative error). (s)a b c x2 x2 x1 1.0000 0.9938 0.00621 a (s) x2 : initial mole fraction of component 2 in the solution. Components: Original Measurements: b 70 x2: mole fraction of component 2 in the saturated solution. (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, K. A. Fletcher, c x1: mole fraction solubility of the solute. (2) 2-Methyl-1-pentanol; C6H14O; K. S. Coym, W. E. Acree, Jr., V. G. [105-30-6] Varanasi, and S. W. Campbell, Phys. Chem. Liq. 34, 103 (1997). Auxiliary Information Variables: Prepared by: T/K ¼ 299.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Experimental Values Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching (s)a b c x2 x2 x1 equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and 1.0000 0.9921 0.00789 diluted with methanol. Concentrations were determined by ax (s) 2 : initial mole fraction of component 2 in the solution. spectrophotometric measurements at 372 nm. b x2: mole fraction of component 2 in the saturated solution. cx 1: mole fraction solubility of the solute. Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99+%, Acros Organics, USA, stored over anhydrous sodium sulfate and molecular sieves before use. Auxiliary Information Method/Apparatus/Procedure: Estimated Error: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Temperature: 0.1 K. visible spectrophotometer. x1: 1.3% (relative error). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Components: Original Measurements: transferred through a coarse filter into tared volumetric flasks, weighed and 61 (1) Pyrene; C16H10; [129-00-0] C. E. Hernández, K. M. De Fina, L. diluted with methanol. Concentrations were determined by (2) 1-Heptanol; C7H16O; [111-70-6] E. Roy, T. L. Sharp, and W. E. Acree, spectrophotometric measurements at 372 nm. Jr., Can. J. Chem. 77, 1465 (1999).
Source and Purity of Chemicals: Variables: Prepared by: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was T/K ¼ 299.15 W. E. Acree, Jr. recrystallized several times from anhydrous methanol. (2) 99%, Aldrich Chemical Company, stored over anhydrous sodium sulfate and molecular sieves before use. Experimental Values
Estimated Error: x (s)a x b x c Temperature: 0.1 K. 2 2 1 x1: 1.5% (relative error). 1.0000 0.9831 0.01694 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Components: Original Measurements: 69 (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, K. S. Coym, K. A. (2) 4-Methyl-2-pentanol; C6H14O; Fletcher, and W. E. Acree, Jr., J. Auxiliary Information [108-11-2] Chem. Eng. Data 42, 511 (1997). Method/Apparatus/Procedure: Variables: Prepared by: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T ¼ /K 299.15 W. E. Acree, Jr. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-186 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9714 0.02859 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: The published value was given as molar solubility of pyrene 74 (1) Pyrene; C16H10; [129-00-0] S. H. Ali, Fluid Phase Equilib. in 1-decanol. The mole fraction solubility was provided by the (2) 1-Octanol; C8H18O; [111-87-5] 264, 29 (2008). authors of the paper. Variables: Prepared by: Temperature W. E. Acree, Jr. Auxiliary Information Method/Apparatus/Procedure: Experimental Values Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to a b T/K x2 x1 equilibrate for several days at constant temperature. Attainment of equilibrium 293 0.9781 0.0219 was verified by several repetitive measurements and by approaching 298 0.9759 0.0241 equilibrium from supersaturation. Aliquots of saturated solutions were 303 0.9715 0.0285 transferred through a coarse filter into tared volumetric flasks, weighed and 308 0.9667 0.0333 diluted with methanol. Concentrations were determined by 313 0.9634 0.0366 spectrophotometric measurements at 372 nm. 318 0.9589 0.0411 Source and Purity of Chemicals: ax 2: mole fraction of component 2 in the saturated solution. (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was bx 1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). recrystallized several times from methanol. (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use.
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x : 1.5% (relative error). Constant-temperature bath, gas chromatograph equipped with a flame 1 ionization detector and an uv/visible spectrophotometer. Saturated solutions were prepared by placing excess solute in glass bottles containing the solvent. Samples were equilibrated in a constant temperature with shaking for at least three days, followed by a three-day period in which the Components: Original Measurements: 10 solid was allowed to settle to the bottom of the container. Aliquots were (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. transferred to tared volumetric flasks, weighed and then diluted with the (2) 3,7-Dimethyl-1-octanol; C10H22O; Abraham, Fluid Phase Equilib. solvent for spectrophotometric analysis. Concentrations of the dilute solutions [106-21-8] 201, 245 (2002). were determined from absorbance versus concentration curves based on Variables: Prepared by: absorbance measurements for standard solutions of known concentration. The T/K ¼ 299.15 W. E. Acree, Jr. spectrophotometric results were verified by gas chromatographic analyses.
Source and Purity of Chemicals: Experimental Values (1) 97%, Fluka, recrystallized several times from methanol to yield a sample of 99% purity. (2) 99.9+%, Baker Chemical Company, USA, no purification details were x (s)a x b x c provided in the paper. 2 2 1 1.0000 0.9831 0.01694 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: <3.0% (relative error). x1: mole fraction solubility of the solute.
Components: Original Measurements: 10 (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. (2) 1-Decanol; C10H22O; [112-30-1] Abraham, Fluid Phase Equilib. 201, 245 (2002). Variables: Prepared by: T/K ¼ 299.15 W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-187
Auxiliary Information Components: Original Measurements: 45 Method/Apparatus/Procedure: (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1,2-Ethanediol; C2H6O2; [107-21-1] W. E. Acree, Jr., Polycyclic visible spectrophotometer. Aromat. Compd. 13, 205 (1999). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9995 0.000519 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 68 (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, A.-S. M. Horton, S. A. visible spectrophotometer. (2) Cyclohexanol; C6H12O; Padilla, A. L. Trufant, N. U. De La Excess solute and solvent were placed in amber glass bottles and allowed to [108-93-0] Sancha, E. Vela, and W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium J. Chem. Eng. Data 41, 1522 (1996). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 299.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves and 1.0000 0.9903 0.00965 distilled shortly before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Pyrene; C H ; [129-00-0] 45L. E. Roy, C. E. Hernández, and visible spectrophotometer. 16 10 (2) 2,2,2-Trifluoroethanol; C H F O; W. E. Acree, Jr., Polycyclic Excess solute and solvent were placed in amber glass bottles and allowed to 2 3 3 [75-89-8] Aromat. Compd. 13, 205 (1999). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 299.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values
Source and Purity of Chemicals: (s)a b c (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9995 0.000467 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before a (s) x2 : initial mole fraction of component 2 in the solution. use. b x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. Estimated Error: 1 Temperature: 0.1 K. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-188 WILLIAM E. ACREE, JR.
Auxiliary Information Estimated Error: Temperature: 0.1 K. Method/Apparatus/Procedure: x1: 1.3% (relative error). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Components: Original Measurements: 69 equilibrium from supersaturation. Aliquots of saturated solutions were (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, K. S. Coym, K. A. transferred through a coarse filter into tared volumetric flasks, weighed and (2) 2-Ethoxyethanol; C4H10O2; Fletcher, and W. E. Acree, Jr., J. diluted with methanol. Concentrations were determined by [110-80-5] Chem. Eng. Data 42, 511 (1997). spectrophotometric measurements at 372 nm. Variables: Prepared by: T/K ¼ 299.15 W. E. Acree, Jr. Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. Experimental Values (2) 99%, Aldrich Chemical Company, stored over molecular sieves and distilled shortly before use. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.9695 0.03046 Temperature: 0.1 K. ax (s) x1: 1.5% (relative error). 2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
13.8. Pyrene solubility data in alkoxyalcohols
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 69 (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, K. S. Coym, K. A. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methoxyethanol; C3H8O2; Fletcher, and W. E. Acree, Jr., J. visible spectrophotometer. [109-86-4] Chem. Eng. Data 42, 511 (1997). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9828 0.01717 recrystallized several times from methanol. a (s) x2 : initial mole fraction of component 2 in the solution. (2) 99%, Acros Organics, USA, stored over anhydrous sodium sulfate b x2: mole fraction of component 2 in the saturated solution. molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.3% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 69 visible spectrophotometer. (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, K. S. Coym, K. A. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Propoxyethanol; C5H12O2; Fletcher, and W. E. Acree, Jr., J. equilibrate for several days at constant temperature. Attainment of equilibrium [2807-30-9] Chem. Eng. Data 42, 511 (1997). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: T ¼ transferred through a coarse filter into tared volumetric flasks, weighed and /K 299.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.5+%, anhydrous, Aldrich Chemical Company, stored over anhydrous sodium sulfate and molecular sieves before use.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-189
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99%, Acros Organics, USA, stored over anhydrous sodium sulfate and x2 x2 x1 molecular sieves before use. 1.0000 0.9660 0.03400 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.3% (relative error).
Auxiliary Information / / Components: Original Measurements: Method Apparatus Procedure: 69 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, K. S. Coym, K. A. visible spectrophotometer. (2) 3-Methoxy-1-butanol; C5H12O2; Fletcher, and W. E. Acree, Jr., J. Excess solute and solvent were placed in amber glass bottles and allowed to [2517-43-3] Chem. Eng. Data 42, 511 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 299.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 372 nm.
(s)a b c Source and Purity of Chemicals: x2 x2 x1 (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9746 0.02541 recrystallized several times from methanol. ax (s) (2) 99+%, Aldrich Chemical Company, stored over anhydrous sodium sulfate 2 : initial mole fraction of component 2 in the solution. bx and molecular sieves before use. 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 1.3% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 69 (1) Pyrene; C16H10; [129-00-0] M. E. R. McHale, K. S. Coym, K. A. equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2-Butoxyethanol; C6H14O2; Fletcher, and W. E. Acree, Jr., J. was verified by several repetitive measurements and by approaching [111-76-2] Chem. Eng. Data 42, 511 (1997). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 299.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
Experimental Values Source and Purity of Chemicals: (1) 99%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99+%, Aldrich Chemical Company, stored over anhydrous sodium sulfate x2 x2 x1 and molecular sieves before use. 1.0000 0.9621 0.03790 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 1.3% (relative error).
Auxiliary Information Method/Apparatus/Procedure: 13.9. Pyrene solubility data in ketones Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium 71 (1) Pyrene; C16H10; [129-00-0] Q. Yu, X. Ma, and L. Xu, Fluid was verified by several repetitive measurements and by approaching (2) Propanone; C3H6O; [67-64-1] Phase Equilib. 319, 5 (2012). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by Temperature W. E. Acree, Jr. spectrophotometric measurements at 372 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-190 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T/K x a x b 2 1 visible spectrophotometer. 295.35 0.9697 0.0303 Excess solute and solvent were placed in amber glass bottles and allowed to 299.05 0.9668 0.0332 equilibrate for several days at constant temperature. Attainment of equilibrium 303.75 0.9618 0.0382 was verified by several repetitive measurements and by approaching 308.65 0.9564 0.0436 equilibrium from supersaturation. Aliquots of saturated solutions were 313.55 0.9498 0.0502 transferred through a coarse filter into tared volumetric flasks, weighed and 318.45 0.9433 0.0567 diluted with methanol. Concentrations were determined by 323.35 0.9334 0.0666 spectrophotometric measurements at 372 nm. a x2: mole fraction of component 2 in the saturated solution. b Source and Purity of Chemicals: x1: mole fraction of the polycyclic aromatic hydrocarbon (component 1). (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.5+%, HPLC Grade, Aldrich Chemical Company, stored over molecular sieves before use. Auxiliary Information Estimated Error: Method/Apparatus/Procedure: Temperature: 0.1 K. Constant-temperature bath, oven and electronic balance. x : 1.5% (relative error). Saturated solutions were prepared by placing excess solute in a cylindrical 1 double-jacketed glass vial. The solution was equilibrated at constant temperature with continuous stirring for at least 4 h. The stirring was discontinued and the solution was allowed to stand for 3 h. An aliquot of the upper clear solution was removed, filtered through a 0.45 μm membrane, and Components: Original Measurements: 10 transferred to a tared double dish. The double dish and contents were quickly (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. weighed. The solvent in the double dish was evaporated, dried at 325 K and (2) Cyclohexanone; C6H10O; [108-94-1] Abraham, Fluid Phase then reweighed. The solubility was determined from the mass of the solid Equilib. 201, 245 (2002). residue and the mass of the sample analyzed. Measurements were performed in Variables: Prepared by: triplicate. T/K ¼ 299.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 99%, Alfa Aesar Reagent Company, was recrystallized twice from Experimental Values propanone. (2) 99.9+%, Tianjin Kemel Chemical, China, was used as received. x (s)a x b x c Estimated Error: 2 2 1 Temperature: 0.1 K. 1.0000 0.8900 0.1100 a (s) x1: 1% (relative error). x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: 61 (1) Pyrene; C16H10; [129-00-0] C. E. Hernández, K. M. De Fina, L. Auxiliary Information (2) 2-Butanone; C H O; [78-93-3] E. Roy, T. L. Sharp, and W. E. Acree, 4 8 Method/Apparatus/Procedure: Jr., Can. J. Chem. 77, 1465 (1999). Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T/K ¼ 299.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by (s)a b c x2 x2 x1 spectrophotometric measurements at 372 nm. 1.0000 0.9325 0.06752 Source and Purity of Chemicals: ax (s) 2 : initial mole fraction of component 2 in the solution. (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was bx 2: mole fraction of component 2 in the saturated solution. recrystallized several times from methanol. cx 1: mole fraction solubility of the solute. (2) 99.8%, Aldrich Chemical Company, stored over molecular sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-191
Auxiliary Information Components: Original Measurements: 10 (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. Method/Apparatus/Procedure: (2) Acetophenone; C8H8O; [98-86-2] Abraham, Fluid Phase Equilib. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 201, 245 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.8848 0.1152 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99.9+%, HPLC Grade, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves and distilled shortly before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium (1) Pyrene; C H ; [129-00-0] 10W. E. Acree, Jr. and M. H. was verified by several repetitive measurements and by approaching 16 10 (2) Propanenitrile; C H N; [107-12-0] Abraham, Fluid Phase Equilib. equilibrium from supersaturation. Aliquots of saturated solutions were 3 5 201, 245 (2002). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 372 nm. T/K ¼ 299.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. (s)a b c x2 x2 x1 Estimated Error: 1.0000 0.9744 0.02562 Temperature: 0.1 K. ax (s) x 2 : initial mole fraction of component 2 in the solution. 1: 1.5% (relative error). b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
13.10. Pyrene solubility data in miscellaneous Auxiliary Information organic solvents Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 45 (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and equilibrate for several days at constant temperature. Attainment of equilibrium (2) Ethanenitrile; C2H3N; [75-05-8] W. E. Acree, Jr., Polycyclic was verified by several repetitive measurements and by approaching Aromat. Compd. 13, 205 (1999). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 299.15 W. E. Acree, Jr. diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm.
Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2 x2 x1 1.0000 0.9939 0.00614 Estimated Error: ax (s) 2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-192 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 10 (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. Method/Apparatus/Procedure: (2) Butanenitrile; C4H7N; [109-74-0] Abraham, Fluid Phase Equilib. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 201, 245 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9558 0.04417 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 45 visible spectrophotometer. (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and Excess solute and solvent were placed in amber glass bottles and allowed to (2) Benzonitrile; C7H5N; [100-47-0] W. E. Acree, Jr., Polycyclic equilibrate for several days at constant temperature. Attainment of equilibrium Aromat. Compd. 13, 205 (1999). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 299.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 1.0000 0.8985 0.1015 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Pyrene; C H ; [129-00-0] 10W. E. Acree, Jr. and M. H. 16 10 visible spectrophotometer. (2) Hexanedinitrile; C H N ; [111-69-3] Abraham, Fluid Phase 6 8 2 Excess solute and solvent were placed in amber glass bottles and allowed to Equilib. 201, 245 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 299.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 372 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9747 0.02528 recrystallized several times from methanol. a (s) (2) 99%, Aldrich Chemical Company, stored over molecular sieves and x2 : initial mole fraction of component 2 in the solution. b distilled shortly before use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-193
Auxiliary Information Components: Original Measurements: 45 (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and Method/Apparatus/Procedure: (2) Methyl acetoacetate; C5H8O3; W. E. Acree, Jr., Polycyclic Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [105-45-3] Aromat. Compd. 13, 205 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9689 0.03106 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: 45 visible spectrophotometer. (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and Excess solute and solvent were placed in amber glass bottles and allowed to (2) N,N-Dimethylformamide; C3H7NO; W. E. Acree, Jr., Polycyclic equilibrate for several days at constant temperature. Attainment of equilibrium [68-12-2] Aromat. Compd. 13, 205 (1999). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 299.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99%, Aldrich Chemical Company, stored over molecular sieves and 1.0000 0.9116 0.08844 a (s) distilled shortly before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. (1) Pyrene; C H ; [129-00-0] 10W. E. Acree, Jr. and M. H. 16 10 Excess solute and solvent were placed in amber glass bottles and allowed to (2) N-Methylformamide; C H NO; Abraham, Fluid Phase 2 5 equilibrate for several days at constant temperature. Attainment of equilibrium [123-39-7] Equilib. 201, 245 (2002). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 299.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9935 0.006512 (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular a (s) sieves and distilled shortly before use. x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. 2 Estimated Error: cx : mole fraction solubility of the solute. 1 Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-194 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 45 (1) Pyrene; C16H10; [129-00-0] L. E. Roy, C. E. Hernández, and Method/Apparatus/Procedure: (2) N,N-Dimethylacetamide; C4H9NO; W. E. Acree, Jr., Polycyclic Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [127-19-5] Aromat. Compd. 13, 205 (1999). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.8625 0.1375 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) ACS Reagent Grade, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 10 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Dimethyl sulfoxide; C2H6OS; Abraham, Fluid Phase Equilib. was verified by several repetitive measurements and by approaching [67-68-5] 201, 245 (2002). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 299.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular 2 2 1 sieves and distilled shortly before use. 1.0000 0.9665 0.03354 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Pyrene; C H ; [129-00-0] 61C. E. Hernández, K. M. De Fina, 16 10 visible spectrophotometer. (2) Benzenamine; C H N; [62-53-3] L. E. Roy, T. L. Sharp, and W. E. 6 7 Excess solute and solvent were placed in amber glass bottles and allowed to Acree, Jr., Can. J. Chem. 77, 1465 equilibrate for several days at constant temperature. Attainment of equilibrium (1999). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 299.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c x2 x2 x1 recrystallized several times from methanol. 1.0000 0.9660 0.03398 (2) 99.9%, HPLC grade, Aldrich Chemical Company, stored over molecular a (s) sieves before use. x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. 2 Estimated Error: cx : mole fraction solubility of the solute. 1 Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-195
Auxiliary Information Components: Original Measurements: 10 (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr. and M. H. Method/Apparatus/Procedure: (2) Propylene carbonate; C4H6O3; Abraham, Fluid Phase Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [108-32-7] Equilib. 201, 245 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 299.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9815 0.01847 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before c x1: mole fraction solubility of the solute. use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements:
Excess solute and solvent were placed in amber glass bottles and allowed to (1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr., unpublished data. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Morpholine; C4H9NO; [110-91-8] was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 299.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99.7%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9178 0.08218 a (s) sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. (1) Pyrene; C H ; [129-00-0] 10W. E. Acree, Jr. and M. H. 16 10 Excess solute and solvent were placed in amber glass bottles and allowed to (2) Tributyl phosphate; C H O P; Abraham, Fluid Phase 12 27 4 equilibrate for several days at constant temperature. Attainment of equilibrium [126-73-8] Equilib. 201, 245 (2002). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 299.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c x2 x2 x1 recrystallized several times from methanol. 1.0000 0.8707 0.1293 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. ax (s): initial mole fraction of component 2 in the solution. 2 Estimated Error: bx 2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-196 WILLIAM E. ACREE, JR.
Components: Original Measurements: tert-butyl functional groups. The measured solubility data
(1) Pyrene; C16H10; [129-00-0] W. E. Acree, Jr., unpublished data. were used to test the applications and limitations of predictive 76 (2) Ethanolamine; C2H7NO; [141-43-5] expressions derived from Mobile Order theory. Stovall et al. Variables: Prepared by: subsequently determined solubilities in nonane, decane, unde- T/K ¼ 299.15 W. E. Acree, Jr. cane, hexadecane, 1,1′-oxybisethane, 2,2′-oxybispropane, 1,4- dioxane, 1-decanol, ethylene glycol, and ethanenitrile to increase the experimental data available for determining the Experimental Values numerical values of the Abraham model solute descriptors of thianthrene. The calculated solute descriptors derived from the x (s)a x b x c 2 2 1 experimental solubility data provided a very good mathema- 1.0000 0.9980 0.001953 tical description of the solubility behavior of thianthrene in a (s) x2 : initial mole fraction of component 2 in the solution. organic solvents, with an average absolute deviation between b x2: mole fraction of component 2 in the saturated solution. calculated and experimental values on the order of 0.12 log cx 1: mole fraction solubility of the solute. units. Both research groups performed the solubility measure- ments at the single temperature of 298.15 K. Critical evalua- tions are not possible as there are no independent Auxiliary Information measurements for the thianthrene–organic solvent systems Method/Apparatus/Procedure: studied by Fletcher et al.75 and Stovall et al.76 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ The solubility data for thianthrene are given in Secs. 14.2– visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to 14.5. equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were 14.2. Thianthrene solubility data in saturated transferred through a coarse filter into tared volumetric flasks, weighed and hydrocarbons (including cycloalkanes) diluted with 2-propanol. Concentrations were determined by spectrophotometric measurements at 372 nm. Components: Original Measurements: Source and Purity of Chemicals: 76 (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (2) Nonane; C9H20; [111-84-2] and M. H. Abraham, Fluid Phase recrystallized several times from methanol. Equilib. 232, 113 (2005). (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. Variables: Prepared by: Estimated Error: T/K ¼ 298.15 W. E. Acree, Jr. Temperature: 0.1 K. x1: 1.5% (relative error). Experimental Values
x (s)a x b x c 14. Solubility of Thianthrene in Organic 2 2 1 1.0000 0.9955 0.004465 Solvents a (s) x2 : initial mole fraction of component 2 in the solution. bx 14.1. Critical evaluation of experimental 2: mole fraction of component 2 in the saturated solution. cx solubility data 1: mole fraction solubility of the solute. Volume 59 in the IUPAC Solubility Data Series3 contained only experimental solubility data for thianthrene dissolved in Auxiliary Information eight saturated hydrocarbon solutes, namely hexane, heptanes, Method/Apparatus/Procedure: octane, cyclohexane, methylcyclohexane, cyclooctane, and Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 2,2,4-trimethylpentane. Experimental measurements were visible spectrophotometer. performed at a single temperature of 298.15 K. The compiled Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium solubility data also included phase diagram information for was verified by several repetitive measurements and by approaching binary thianthrene + phenanthrene, thianthrene + phenothia- equilibrium from supersaturation. Aliquots of saturated solutions were zine, thianthrene + phenoxanthiin, and thianthrene + phenox- transferred through a coarse filter into tared volumetric flasks, weighed and azine mixtures. Solubility data contained in Vol. 59 will not be diluted with methanol. Concentrations were determined by republished here. The listing above is provided so that readers spectrophotometric measurements at 255 nm. will know what solubility data are available in the earlier Source and Purity of Chemicals: volume for thianthrene. (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was There have been two studies that reported solubility data for recrystallized several times from methanol. thianthrene in organic solvents after Vol. 59 was published in (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves 1995. Fletcher et al.75 determined the solubility of thianthrene before use. in 21 different organic solvents containing hydroxyl-, ether- or
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-197
Estimated Error: Experimental Values Temperature: 0.1 K. x1: 2.0% (relative error). (s)a b c x2 x2 x1 1.0000 0.9944 0.005636 a (s) x2 : initial mole fraction of component 2 in the solution. Components: Original Measurements: b 76 x2: mole fraction of component 2 in the saturated solution. (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., c x1: mole fraction solubility of the solute. (2) Decane; C10H22; [124-18-5] and M. H. Abraham, Fluid Phase Equilib. 232, 113 (2005).
Variables: Prepared by: Auxiliary Information T/K ¼ 298.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Experimental Values visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium (s)a b c x2 x2 x1 was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were 1.0000 0.9950 0.004980 transferred through a coarse filter into tared volumetric flasks, weighed and ax (s) 2 : initial mole fraction of component 2 in the solution. diluted with methanol. Concentrations were determined by bx 2: mole fraction of component 2 in the saturated solution. spectrophotometric measurements at 255 nm. c x1: mole fraction solubility of the solute. Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Acros Organics, USA, stored over molecular sieves before use. Auxiliary Information Method/Apparatus/Procedure: Estimated Error: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Temperature: 0.1 K. x visible spectrophotometer. 1: 2.0% (relative error). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Components: Original Measurements: transferred through a coarse filter into tared volumetric flasks, weighed and 76 (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., diluted with methanol. Concentrations were determined by (2) Hexadecane; C16H34; [544-76-3] and M. H. Abraham, Fluid Phase spectrophotometric measurements at 255 nm. Equilib. 232, 113 (2005).
Source and Purity of Chemicals: Variables: Prepared by: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was T/K ¼ 298.15 W. E. Acree, Jr. recrystallized several times from methanol. (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves before use. Experimental Values
Estimated Error: x (s)a x b x c Temperature: 0.1 K. 2 2 1 x1: 2.0% (relative error). 1.0000 0.9918 0.008166 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Components: Original Measurements: 76 (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., (2) Undecane; C11H24; [1120-21-4] and M. H. Abraham, Fluid Phase Equilib. 232, 113 (2005). Auxiliary Information Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-198 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9916 0.008363 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 2.0% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: Auxiliary Information 75 (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Method/Apparatus/Procedure: tert (2) -Butylcyclohexane; C10H20; J. R. Powell, K. S. Coym, and W. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [3178-22-1] E. Acree, Jr., Phys. Chem. Liq. 34, visible spectrophotometer. 41 (1997). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9934 0.00658 recrystallized several times from methanol. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular bx 2: mole fraction of component 2 in the saturated solution. sieves before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. Auxiliary Information x1: 2.0% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: 76 equilibrate for several days at constant temperature. Attainment of equilibrium (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., was verified by several repetitive measurements and by approaching (2) 2,2′-Oxybispropane; C6H14O; and M. H. Abraham, Fluid Phase equilibrium from supersaturation. Aliquots of saturated solutions were [108-20-3] Equilib. 232, 113 (2005). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Variables: Prepared by: T ¼ spectrophotometric measurements at 255 nm. /K 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x (s)a x b x c sieves before use. 2 2 1 1.0000 0.9936 0.006376 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. b x2: mole fraction of component 2 in the saturated solution. x : 2.0% (relative error). c 1 x1: mole fraction solubility of the solute.
Auxiliary Information 14.3. Thianthrene solubility data in ethers Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 76 (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1,1′-Oxybisethane; C4H10O; and M. H. Abraham, Fluid Phase was verified by several repetitive measurements and by approaching [60-29-7] Equilib. 232, 113 (2005). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 255 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-199
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves (s)a b c x2 x2 x1 before use. 1.0000 0.9906 0.00939 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 2.0% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: / / 75 Method Apparatus Procedure: (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ ′ (2) 1,1 -Oxybisbutane; C8H18O; J. R. Powell, K. S. Coym, and W. visible spectrophotometer. [142-96-1] E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 255 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. 1.0000 0.9903 0.00970 (2) 99.9+%, Arco Chemical Company, USA, stored over molecular sieves ax (s) 2 : initial mole fraction of component 2 in the solution. before use. b x2: mole fraction of component 2 in the saturated solution. cx 1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 2.0% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 76 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1,4-Dioxane; C4H8O2; [123-91-1] and M. H. Abraham, Fluid Phase was verified by several repetitive measurements and by approaching Equilib. 232, 113 (2005). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c x2 x2 x1 (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves 1.0000 0.9757 0.02431 before use. a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 2.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: 75 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, visible spectrophotometer. (2) 2-Methoxy-2-methylpropane; J. R. Powell, K. S. Coym, and W. Excess solute and solvent were placed in amber glass bottles and allowed to C5H12O; [1634-04-4] E. Acree, Jr., Phys. Chem. Liq. 34, equilibrate for several days at constant temperature. Attainment of equilibrium 41 (1997). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-200 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular (s)a b c x2 x2 x1 sieves before use. 1.0000 0.9990 0.001038 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 2.0% (relative error). 1: mole fraction solubility of the solute.
14.4. Thianthrene solubility data in alcohols Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 75 (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Excess solute and solvent were placed in amber glass bottles and allowed to (2) Methanol; CH4O; [67-56-1] J. R. Powell, K. S. Coym, and W. equilibrate for several days at constant temperature. Attainment of equilibrium E. Acree, Jr., Phys. Chem. Liq. 34, was verified by several repetitive measurements and by approaching 41 (1997). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm.
Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (s)a b c (2) Absolute, Aaper Alcohol and Chemical Company, USA, stored over x2 x2 x1 molecular sieves before use. 1.0000 0.9995 0.000472 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. cx 1: mole fraction solubility of the solute. x1: 2.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: 75 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, visible spectrophotometer. (2) 1-Propanol; C3H6O; [71-23-8] J. R. Powell, K. S. Coym, and W. Excess solute and solvent were placed in amber glass bottles and allowed to E. Acree, Jr., Phys. Chem. Liq. 34, equilibrate for several days at constant temperature. Attainment of equilibrium 41 (1997). was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9984 0.00162 a (s) sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 2.0% (relative error).
Components: Original Measurements: 75 (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, (2) Ethanol; C2H6O; [64-17-5] J. R. Powell, K. S. Coym, and W. E. Acree, Jr., Phys. Chem. Liq. 34, 41 (1997). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-201
Auxiliary Information Components: Original Measurements: 75 Method/Apparatus/Procedure: (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Butanol; C4H10O; [71-36-3] J. R. Powell, K. S. Coym, and W. visible spectrophotometer. E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 255 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9977 0.00227 a (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 75 (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, visible spectrophotometer. (2) 2-Propanol; C3H6O; [67-63-0] J. R. Powell, K. S. Coym, and W. Excess solute and solvent were placed in amber glass bottles and allowed to E. Acree, Jr., Phys. Chem. Liq. 34, equilibrate for several days at constant temperature. Attainment of equilibrium 41 (1997). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99.8+%, HPLC Grade, Aldrich Chemical Company, stored over molecular 1.0000 0.9990 0.001007 sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Thianthrene; C H S ; [92-85-3] 75K. A. Fletcher, M. E. R. McHale, visible spectrophotometer. 12 8 2 (2) 2-Butanol; C H O; [78-92-2] J. R. Powell, K. S. Coym, and W. Excess solute and solvent were placed in amber glass bottles and allowed to 4 10 E. Acree, Jr., Phys. Chem. Liq. 34, equilibrate for several days at constant temperature. Attainment of equilibrium 41 (1997). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c recrystallized several times from methanol. x2 x2 x1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9983 0.00166 sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 2.0% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-202 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 75 Method/Apparatus/Procedure: (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Pentanol; C5H12O; [71-41-0] J. R. Powell, K. S. Coym, and W. visible spectrophotometer. E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 255 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9969 0.00308 a (s) (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular x2 : initial mole fraction of component 2 in the solution. b sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 75 (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, visible spectrophotometer. (2) 2-Methyl-1-propanol; C4H10O; J. R. Powell, K. S. Coym, and W. Excess solute and solvent were placed in amber glass bottles and allowed to [78-83-1] E. Acree, Jr., Phys. Chem. Liq. 34, equilibrate for several days at constant temperature. Attainment of equilibrium 41 (1997). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from methanol. 2 2 1 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before 1.0000 0.9985 0.00149 use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Thianthrene; C H S ; [92-85-3] 75K. A. Fletcher, M. E. R. McHale, visible spectrophotometer. 12 8 2 (2) 2-Pentanol; C H O; [6032-29-7] J. R. Powell, K. S. Coym, and W. Excess solute and solvent were placed in amber glass bottles and allowed to 5 12 E. Acree, Jr., Phys. Chem. Liq. 34, equilibrate for several days at constant temperature. Attainment of equilibrium 41 (1997). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c recrystallized several times from methanol. x2 x2 x1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9979 0.00208 sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 2.0% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-203
Auxiliary Information Components: Original Measurements: 75 Method/Apparatus/Procedure: (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-2-butanol; C5H12O; J. R. Powell, K. S. Coym, and W. visible spectrophotometer. [75-85-4] E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 255 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9976 0.00235 a (s) (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 75 (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 3-Methyl-1-butanol; C5H12O; J. R. Powell, K. S. Coym, and W. visible spectrophotometer. [123-51-3] E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9976 0.00243 (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Thianthrene; C H S ; [92-85-3] 75K. A. Fletcher, M. E. R. McHale, visible spectrophotometer. 12 8 2 (2) 1-Hexanol; C H O; [111-27-3] J. R. Powell, K. S. Coym, and W. Excess solute and solvent were placed in amber glass bottles and allowed to 6 14 E. Acree, Jr., Phys. Chem. Liq. 34, equilibrate for several days at constant temperature. Attainment of equilibrium 41 (1997). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c recrystallized several times from methanol. x2 x2 x1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9961 0.00390 sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 2.0% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-204 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 75 Method/Apparatus/Procedure: (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 4-Methyl-2-pentanol; C6H14O; J. R. Powell, K. S. Coym, and W. visible spectrophotometer. [108-11-2] E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 255 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9977 0.00230 a (s) (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 75 (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-1-pentanol; C6H14O; J. R. Powell, K. S. Coym, and W. visible spectrophotometer. [105-30-6] E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9971 0.00287 (2) 99+%, Acros Organics, USA, stored over molecular sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Thianthrene; C H S ; [92-85-3] 75K. A. Fletcher, M. E. R. McHale, visible spectrophotometer. 12 8 2 (2) 1-Heptanol; C H O; [111-70-6] J. R. Powell, K. S. Coym, and W. Excess solute and solvent were placed in amber glass bottles and allowed to 7 16 E. Acree, Jr., Phys. Chem. Liq. 34, equilibrate for several days at constant temperature. Attainment of equilibrium 41 (1997). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c recrystallized several times from methanol. x2 x2 x1 (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 1.0000 0.9950 0.00501 ax (s): initial mole fraction of component 2 in the solution. Estimated Error: 2 bx 2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 2.0% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-205
Auxiliary Information Components: Original Measurements: 75 Method/Apparatus/Procedure: (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Ethyl-1-hexanol; C8H18O; J. R. Powell, K. S. Coym, and W. visible spectrophotometer. [104-76-7] E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 255 nm.
Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9958 0.00415 a (s) (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Estimated Error: x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 2.0% (relative error).
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 75 (1) Thianthrene; C12H8S2; [92-85-3] K. A. Fletcher, M. E. R. McHale, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Octanol; C8H18O; [111-87-5] J. R. Powell, K. S. Coym, and W. visible spectrophotometer. E. Acree, Jr., Phys. Chem. Liq. 34, Excess solute and solvent were placed in amber glass bottles and allowed to 41 (1997). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T/K ¼ 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: x (s)a x b x c (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 2 2 1 recrystallized several times from methanol. 1.0000 0.9945 0.00553 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves before a (s) x2 : initial mole fraction of component 2 in the solution. use. b x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 2.0% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. (1) Thianthrene; C H S ; [92-85-3] 76D. M. Stovall, W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to 12 8 2 (2) 1-Decanol; C H O; [112-30-4] and M. H. Abraham, Fluid Phase equilibrate for several days at constant temperature. Attainment of equilibrium 10 22 Equilib. 232, 113 (2005). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. Experimental Values Source and Purity of Chemicals: (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was (s)a b c recrystallized several times from methanol. x2 x2 x1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9930 0.007021 sieves before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 2.0% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-206 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 76 Method/Apparatus/Procedure: (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1,2-Ethanediol; C2H6O2; [107-21-1] and M. H. Abraham, Fluid Phase visible spectrophotometer. Equilib. 232, 113 (2005). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. x (s)a x b x c Source and Purity of Chemicals: 2 2 1 (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9987 0.001278 a (s) recrystallized several times from methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99+%, Alfa Aesar, USA, stored over molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K. x 1: 2.0% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to (1) Thianthrene; C H S ; [92-85-3] 75K. A. Fletcher, M. E. R. McHale, 12 8 2 equilibrate for several days at constant temperature. Attainment of equilibrium (2) Cyclopentanol; C H O; [96-41-3] J. R. Powell, K. S. Coym, and W. 5 10 was verified by several repetitive measurements and by approaching E. Acree, Jr., Phys. Chem. Liq. 34, equilibrium from supersaturation. Aliquots of saturated solutions were 41 (1997). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 255 nm.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular (s)a b c x2 x2 x1 sieves before use. 1.0000 0.9959 0.00408 Estimated Error: ax (s) 2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. bx 2: mole fraction of component 2 in the saturated solution. x c 1: 2.0% (relative error). x1: mole fraction solubility of the solute.
14.5. Thianthrene solubility data in miscellaneous Auxiliary Information organic solvents Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 76 (1) Thianthrene; C12H8S2; [92-85-3] D. M. Stovall, W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) Ethanenitrile; C2H3N; [75-05-8] and M. H. Abraham, Fluid Phase was verified by several repetitive measurements and by approaching Equilib. 232, 113 (2005). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: T ¼ diluted with methanol. Concentrations were determined by /K 298.15 W. E. Acree, Jr. spectrophotometric measurements at 255 nm.
Source and Purity of Chemicals: Experimental Values (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. x (s)a x b x c (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. 2 2 1 1.0000 0.9986 0.001364 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. b x2: mole fraction of component 2 in the saturated solution. x1: 2.0% (relative error). c x1: mole fraction solubility of the solute.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-207
Auxiliary Information solute species. All three research groups performed the solu- Method/Apparatus/Procedure: bility measurements at the single temperature of 298.15 K. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Critical evaluations are not possible as there are no indepen- visible spectrophotometer. dent measurements for the xanthene–organic solvent systems Excess solute and solvent were placed in amber glass bottles and allowed to studied by Monárrez et al.,77 Stovall et al.,76 and Saifullah equilibrate for several days at constant temperature. Attainment of equilibrium et al.66 was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were The experimental solubility data for xanthene in the differ- transferred through a coarse filter into tared volumetric flasks, weighed and ent organic solvents are in Secs. 15.2–15.7. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 255 nm. 15.2. Xanthene solubility data in saturated Source and Purity of Chemicals: hydrocarbons (including cycloalkanes) (1) 99+%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from methanol. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular sieves before use. Components: Original Measurements: 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Estimated Error: (2) Hexane; C6H14; [110-54-3] Woo, P. Taylor, and W. E. Acree, Jr., Temperature: 0.1 K. Phys. Chem. Liq. 40, 703 (2002). x 1: 2.0% (relative error). Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
15. Solubility of Xanthene in Organic Experimental Values Solvents x (s)a x b x c 15.1. Critical evaluation of experimental 2 2 1 solubility data 1.0000 0.9705 0.02949 a (s) x2 : initial mole fraction of component 2 in the solution. 3 b Volume 59 in the IUPAC Solubility Data Series contained x2: mole fraction of component 2 in the saturated solution. c experimental solubility data for xanthene in two saturated x1: mole fraction solubility of the solute. hydrocarbons (cyclohexane and decahydronaphthalene), in two aromatic hydrocarbons (benzene and 1,2,3,4-tetrahydro- naphthalene), and in two miscellaneous organic solvents Auxiliary Information (pyridine and thiophene). All six systems included measure- ments at several temperatures covering a 40 to 50 K range. Method/Apparatus/Procedure: Solubility data contained in Vol. 59 are not included in the Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. present volume. The above listing is provided so that readers Excess solute and solvent were placed in amber glass bottles and allowed to will know what data are available in the earlier volume for equilibrate for several days at constant temperature. Attainment of equilibrium xanthene. was verified by several repetitive measurements and by approaching There have been three studies that reported solubility data equilibrium from supersaturation. Aliquots of saturated solutions were for xanthene in organic solvents after Vol. 59 was published in transferred through a coarse filter into tared volumetric flasks, weighed and et al.77 diluted with methanol. Concentrations were determined by 1995. Monárrez determined the solubility of xanthene spectrophotometric measurements at 280 nm. in 34 different organic solvents containing hydroxyl-, ether-, chloro-, cyano- or tert-butyl functional groups. The measured Source and Purity of Chemicals: solubility data were used to test the applications and limita- (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was tions of predictive expressions derived from Mobile Order recrystallized several times from anhydrous methanol. et al.76 (2) 99%, Aldrich Chemical Company, stored over molecular sieves and theory. Stovall subsequently determined solubilities in distilled before use. undecane, 1,1′-oxybisethane and 2,2′-oxybispropane to increase the experimental data available for determining the Estimated Error: numerical values of the Abraham model solute descriptors of Temperature: 0.1 K. x xanthene. The calculated solute descriptors derived from the 1: 1.5% (relative error). experimental solubility data provided a very good mathema- tical description of the solubility behavior of xanthene in organic solvents, with an average absolute deviation between Components: Original Measurements: 77 calculated and experimental values being on the order of (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. 66 0.09 log units. Saifullah et al. later reported the solubility (2) Heptane; C7H16; [142-82-5] Woo, P. Taylor, and W. E. Acree, Jr., of xanthene in both tetrahydrofuran and 1,4-dioxane at Phys. Chem. Liq. 40, 703 (2002). 298.15 K as part of a computational study aimed at updating Variables: Prepared by: the Abraham model equation coefficients of tetrahydrofuran T/K ¼ 298.15 W. E. Acree, Jr. and 1,4-dioxane and extending the basic model to include ionic
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-208 WILLIAM E. ACREE, JR.
Experimental Values Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ x (s)a x b x c 2 2 1 visible spectrophotometer. 1.0000 0.9646 0.03543 Excess solute and solvent were placed in amber glass bottles and allowed to a (s) equilibrate for several days at constant temperature. Attainment of equilibrium x2 : initial mole fraction of component 2 in the solution. b was verified by several repetitive measurements and by approaching x2: mole fraction of component 2 in the saturated solution. c equilibrium from supersaturation. Aliquots of saturated solutions were x1: mole fraction solubility of the solute. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
Auxiliary Information Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Method/Apparatus/Procedure: recrystallized several times from anhydrous methanol. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular visible spectrophotometer. sieves and distilled before use. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Estimated Error: was verified by several repetitive measurements and by approaching Temperature: 0.1 K. equilibrium from supersaturation. Aliquots of saturated solutions were x : 1.5% (relative error). transferred through a coarse filter into tared volumetric flasks, weighed and 1 diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: Components: Original Measurements: 77 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. recrystallized several times from anhydrous methanol. (2) Nonane; C9H20; [111-84-2] Woo, P. Taylor, and W. E. Acree, Jr., (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves Phys. Chem. Liq. 40, 703 (2002). and distilled before use. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Estimated Error: Temperature: 0.1 K. x 1: 1.5% (relative error). Experimental Values
(s)a b c x2 x2 x1 Components: Original Measurements: 1.0000 0.9569 0.04306 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. a (s) x2 : initial mole fraction of component 2 in the solution. (2) Octane; C8H18; [111-65-9] Woo, P. Taylor, and W. E. Acree, Jr., b x2: mole fraction of component 2 in the saturated solution. Phys. Chem. Liq. 40, 703 (2002). c x1: mole fraction solubility of the solute. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr. Auxiliary Information Experimental Values Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. (s)a b c x2 x2 x1 Excess solute and solvent were placed in amber glass bottles and allowed to 1.0000 0.9602 0.03976 equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching ax (s) 2 : initial mole fraction of component 2 in the solution. equilibrium from supersaturation. Aliquots of saturated solutions were bx 2: mole fraction of component 2 in the saturated solution. transferred through a coarse filter into tared volumetric flasks, weighed and cx 1: mole fraction solubility of the solute. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves and distilled before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-209
Auxiliary Information Components: Original Measurements: 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Method/Apparatus/Procedure: (2) Decane; C10H22; [124-18-5] Woo, P. Taylor, and W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Phys. Chem. Liq. 40, 703 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9539 0.04610 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from anhydrous methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99%, Acros Organics, USA, stored over molecular sieves and distilled c x1: mole fraction solubility of the solute. before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 77 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Hexadecane; C16H34; [544-76-3] Woo, P. Taylor, and W. E. Acree, Jr., was verified by several repetitive measurements and by approaching Phys. Chem. Liq. 40, 703 (2002). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. x (s)a x b x c (2) 99+%, TCI America, Portland, OR, USA, stored over molecular sieves and 2 2 1 distilled before use. 1.0000 0.9316 0.06835 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Xanthene; C H O; [92-83-1] 76D. M. Stovall, W. E. Acree, Jr., 13 10 visible spectrophotometer. (2) Undecane; C H ; [1120-21-4] and M. H. Abraham, Fluid Phase 11 24 Excess solute and solvent were placed in amber glass bottles and allowed to Equilib. 232, 111 (2005). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9530 0.04704 recrystallized several times from anhydrous methanol. a (s) (2) 99%, Aldrich Chemical Company, stored over molecular sieves and x2 : initial mole fraction of component 2 in the solution. b distilled before use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-210 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Method/Apparatus/Procedure: (2) Cyclohexane; C6H12; [110-82-7] Woo, P. Taylor, and W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Phys. Chem. Liq. 40, 703 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9580 0.04203 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from anhydrous methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves and distilled before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 77 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Cyclooctane; C8H16; [292-64-8] Woo, P. Taylor, and W. E. Acree, Jr., was verified by several repetitive measurements and by approaching Phys. Chem. Liq. 40, 703 (2002). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. x (s)a x b x c (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves 2 2 1 and distilled before use. 1.0000 0.9459 0.05414 a (s) x2 : initial mole fraction of component 2 in the solution. b Estimated Error: x2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) Xanthene; C H O; [92-83-1] 77C. I. Monárrez, D. M. Stovall, J. H. 13 10 visible spectrophotometer. (2) Methylcyclohexane; C H ; Woo, P. Taylor, and W. E. Acree, Jr., 7 14 Excess solute and solvent were placed in amber glass bottles and allowed to [108-87-2] Phys. Chem. Liq. 40, 703 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (s)a b c x2 x2 x1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9572 0.04275 recrystallized several times from anhydrous methanol. a (s) (2) 99%, Lancaster Synthesis, USA, stored over molecular sieves and distilled x2 : initial mole fraction of component 2 in the solution. b before use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-211
Auxiliary Information Components: Original Measurements: 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Method/Apparatus/Procedure: (2) 2,2,4-Trimethylpentane; C8H18; Woo, P. Taylor, and W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [540-84-1] Phys. Chem. Liq. 40, 703 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9755 0.02451 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from anhydrous methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular c x1: mole fraction solubility of the solute. sieves and distilled before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium (1) Xanthene; C H O; [92-83-1] 76D. M. Stovall, W. E. Acree, Jr., was verified by several repetitive measurements and by approaching 13 10 (2) 2,2′-Oxybispropane; C H O; and M. H. Abraham, Fluid Phase equilibrium from supersaturation. Aliquots of saturated solutions were 6 14 [108-20-3] Equilib. 232, 111 (2005). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 280 nm. T/K ¼ 298.15 W. E. Acree, Jr.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Experimental Values recrystallized several times from anhydrous methanol. (2) HPLC Grade, Aldrich Chemical Company, stored over molecular sieves (s)a b c and distilled before use. x2 x2 x1 1.0000 0.9447 0.05531 Estimated Error: ax (s) Temperature: 0.1 K. 2 : initial mole fraction of component 2 in the solution. bx x 2: mole fraction of component 2 in the saturated solution. 1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information 15.3. Xanthene solubility data in ethers Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to (1) Xanthene; C H O; [92-83-1] 76D. M. Stovall, W. E. Acree, Jr., 13 10 equilibrate for several days at constant temperature. Attainment of equilibrium (2) 1,1′-Oxybisethane; C H O; and M. H. Abraham, Fluid Phase 4 10 was verified by several repetitive measurements and by approaching [60-29-7] Equilib. 232, 111 (2005). equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (s)a b c x2 x2 x1 (2) 99%, anhydrous, Aldrich Chemical Company, stored over molecular sieves 1.0000 0.9165 0.08353 and distilled before use. ax (s) 2 : initial mole fraction of component 2 in the solution. Estimated Error: bx 2: mole fraction of component 2 in the saturated solution. c Temperature: 0.1 K. x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-212 WILLIAM E. ACREE, JR.
Auxiliary Information Components: Original Measurements: 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Method/Apparatus/Procedure: (2) 1,1′-Oxybisbutane; C8H18O; Woo, P. Taylor, and W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ [142-96-1] Phys. Chem. Liq. 40, 703 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Experimental Values transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9169 0.08310 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) x2 : initial mole fraction of component 2 in the solution. recrystallized several times from anhydrous methanol. b x2: mole fraction of component 2 in the saturated solution. (2) 99.9+%, Arco Chemical Company, USA, stored over molecular sieves and c x1: mole fraction solubility of the solute. distilled before use.
Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: 66 Excess solute and solvent were placed in amber glass bottles and allowed to (1) Xanthene; C13H10O; [92-83-1] M. Saifullah, S. Ye, L. M. equilibrate for several days at constant temperature. Attainment of equilibrium (2) Tetrahydrofuran; C4H8O; Grubbs, N. E. De La Rosa, W. E. was verified by several repetitive measurements and by approaching [109-99-9] Acree, Jr., and M. H. Abraham, J. equilibrium from supersaturation. Aliquots of saturated solutions were Solution Chem. 40, 2082 (2011). transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and x (s)a x b x c distilled before use. 2 2 1 1.0000 0.8140 0.1860 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. x c 1: 1.5% (relative error). x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: Method/Apparatus/Procedure: 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methoxy-2-methylpropane; Woo, P. Taylor, and W. E. Acree, Jr., visible spectrophotometer.
C5H12O; [1634-04-4] Phys. Chem. Liq. 40, 703 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium Variables: Prepared by: was verified by several repetitive measurements and by approaching T/K ¼ 298.15 W. E. Acree, Jr. equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Experimental Values spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: x (s)a x b x c 2 2 1 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9215 0.07846 recrystallized several times from anhydrous methanol. a (s) % x2 : initial mole fraction of component 2 in the solution. (2) 99.9 , anhydrous, Aldrich Chemical Company, stored over molecular b x2: mole fraction of component 2 in the saturated solution. sieves and distilled before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error).
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-213
Components: Original Measurements: Experimental Values 66 (1) Xanthene; C13H10O; [92-83-1] M. Saifullah, S. Ye, L. M. (2) 1,4-Dioxane; C H O ; [123-91-1] Grubbs, N. E. De La Rosa, W. E. 4 8 2 x (s)a x b x c Acree, Jr., and M. H. Abraham, J. 2 2 1 Solution Chem. 40, 2082 (2011). 1.0000 0.8763 0.1237 ax (s) Variables: Prepared by: 2 : initial mole fraction of component 2 in the solution. bx T/K ¼ 298.15 W. E. Acree, Jr. 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Experimental Values Auxiliary Information / / x (s)a x b x c Method Apparatus Procedure: 2 2 1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 1.0000 0.8498 0.1502 visible spectrophotometer. a (s) x2 : initial mole fraction of component 2 in the solution. Excess solute and solvent were placed in amber glass bottles and allowed to b x2: mole fraction of component 2 in the saturated solution. equilibrate for several days at constant temperature. Attainment of equilibrium c x1: mole fraction solubility of the solute. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Auxiliary Information Method/Apparatus/Procedure: Source and Purity of Chemicals: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was visible spectrophotometer. recrystallized several times from anhydrous methanol. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 99.5+%, anhydrous, Aldrich Chemical Company, stored over molecular equilibrate for several days at constant temperature. Attainment of equilibrium sieves and distilled before use. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Estimated Error: transferred through a coarse filter into tared volumetric flasks, weighed and Temperature: 0.1 K. x diluted with methanol. Concentrations were determined by 1: 1.5% (relative error). spectrophotometric measurements at 280 nm.
Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was Components: Original Measurements: 77 recrystallized several times from anhydrous methanol. (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular (2) 1,2-Dichloroethane; C2H4Cl2; Woo, P. Taylor, and W. E. Acree, Jr., sieves and distilled before use. [107-06-2] Phys. Chem. Liq. 40, 703 (2002). Variables: Prepared by: Estimated Error: T/K ¼ 298.15 W. E. Acree, Jr. Temperature: 0.1 K. x1: 1.5% (relative error). Experimental Values
(s)a b c 15.4. Xanthene solubility data in haloalkanes, x2 x2 x1 haloalkenes, and haloaromatic hydrocarbons 1.0000 0.8451 0.1549 a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. c Components: Original Measurements: x1: mole fraction solubility of the solute. 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, (2) Tetrachloromethane; CCl4; J. H. Woo, P. Taylor, and W. E. [56-23-5] Acree, Jr., Phys. Chem. Liq. 40, Auxiliary Information 703 (2002). Method/Apparatus/Procedure: Variables: Prepared by: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ T ¼ /K 298.15 W. E. Acree, Jr. visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-214 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. x (s)a x b x c (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular 2 2 1 sieves and distilled before use. 1.0000 0.9938 0.006231 a (s) x2 : initial mole fraction of component 2 in the solution. Estimated Error: b x2: mole fraction of component 2 in the saturated solution. Temperature: 0.1 K. c x1: mole fraction solubility of the solute. x1: 1.5% (relative error).
Auxiliary Information / / 15.5. Xanthene solubility data in alcohols Method Apparatus Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Components: Original Measurements: equilibrate for several days at constant temperature. Attainment of equilibrium 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. was verified by several repetitive measurements and by approaching (2) Methanol; CH4O; [67-56-1] Woo, P. Taylor, and W. E. Acree, Jr., equilibrium from supersaturation. Aliquots of saturated solutions were Phys. Chem. Liq. 40, 703 (2002). transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Variables: Prepared by: spectrophotometric measurements at 280 nm. T/K ¼ 298.15 W. E. Acree, Jr. Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) Absolute, Aaper Alcohol and Chemical Company, USA, stored over (s)a b c molecular sieves and distilled before use. x2 x2 x1 1.0000 0.9955 0.004455 Estimated Error: a (s) x2 : initial mole fraction of component 2 in the solution. Temperature: 0.1 K. b x x2: mole fraction of component 2 in the saturated solution. 1: 1.5% (relative error). c x1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: (1) Xanthene; C H O; [92-83-1] 77C. I. Monárrez, D. M. Stovall, J. H. Method/Apparatus/Procedure: 13 10 (2) 1-Propanol; C H O; [71-23-8] Woo, P. Taylor, and W. E. Acree, Jr., Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 3 8 Phys. Chem. Liq. 40, 703 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. (s)a b c x2 x2 x1 Source and Purity of Chemicals: 1.0000 0.9883 0.01166 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was ax (s) recrystallized several times from anhydrous methanol. 2 : initial mole fraction of component 2 in the solution. bx (2) 99.9+%, Aldrich Chemical Company, stored over molecular sieves and 2: mole fraction of component 2 in the saturated solution. cx distilled before use. 1: mole fraction solubility of the solute.
Estimated Error: Temperature: 0.1 K. Auxiliary Information x1: 1.5% (relative error). Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to 77 equilibrate for several days at constant temperature. Attainment of equilibrium (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. was verified by several repetitive measurements and by approaching (2) Ethanol; C2H6O; [64-17-5] Woo, P. Taylor, and W. E. Acree, Jr., Phys. Chem. Liq. 40, 703 (2002). equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Variables: Prepared by: diluted with methanol. Concentrations were determined by T/K ¼ 298.15 W. E. Acree, Jr. spectrophotometric measurements at 280 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-215
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular (s)a b c x2 x2 x1 sieves and distilled before use. 1.0000 0.9824 0.01756 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 1.5% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: / / 77 Method Apparatus Procedure: (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Propanol; C3H8O; [67-63-0] Woo, P. Taylor, and W. E. Acree, Jr., visible spectrophotometer. Phys. Chem. Liq. 40, 703 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9914 0.008643 recrystallized several times from anhydrous methanol. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99.8+%, HPLC Grade, Aldrich Chemical Company, stored over molecular bx 2: mole fraction of component 2 in the saturated solution. sieves and distilled before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Butanol; C4H10O; [78-92-2] Woo, P. Taylor, and W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium Phys. Chem. Liq. 40, 703 (2002). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from anhydrous methanol. 2 2 1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9875 0.01254 sieves and distilled before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. visible spectrophotometer. (2) 1-Butanol; C4H10O; [71-36-3] Woo, P. Taylor, and W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to Phys. Chem. Liq. 40, 703 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T ¼ /K 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-216 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular (s)a b c x2 x2 x1 sieves and distilled before use. 1.0000 0.9889 0.01112 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 1.5% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: / / 77 Method Apparatus Procedure: (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Methyl-1-propanol; C4H10O; Woo, P. Taylor, and W. E. Acree, Jr., visible spectrophotometer. [78-83-1] Phys. Chem. Liq. 40, 703 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9892 0.01077 recrystallized several times from anhydrous methanol. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99+%, Arco Chemical Company, USA, stored over molecular sieves and bx 2: mole fraction of component 2 in the saturated solution. distilled before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Pentanol; C5H12O; [71-41-0] Woo, P. Taylor, and W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium Phys. Chem. Liq. 40, 703 (2002). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from anhydrous methanol. 2 2 1 (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular 1.0000 0.9779 0.02212 sieves and distilled before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. visible spectrophotometer. (2) 2-Methyl-2-propanol; C4H10O; Woo, P. Taylor, and W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to [75-65-0] Phys. Chem. Liq. 40, 703 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T ¼ /K 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-217
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99+%, Aldrich Chemical Company, stored over molecular sieves and (s)a b c x2 x2 x1 distilled before use. 1.0000 0.9837 0.01633 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 1.5% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: / / 77 Method Apparatus Procedure: (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 2-Pentanol; C5H12O; [6032-29-7] Woo, P. Taylor, and W. E. Acree, Jr., visible spectrophotometer. Phys. Chem. Liq. 40, 703 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9823 0.01766 recrystallized several times from anhydrous methanol. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular bx 2: mole fraction of component 2 in the saturated solution. sieves and distilled before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 2-Methyl-2-butanol; C5H12O; Woo, P. Taylor, and W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium [75-85-4] Phys. Chem. Liq. 40, 703 (2002). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from anhydrous methanol. 2 2 1 (2) 99+%, Acros Organics, USA, stored over molecular sieves and distilled 1.0000 0.9805 0.01946 before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. visible spectrophotometer. (2) 3-Methyl-1-butanol; C5H12O; Woo, P. Taylor, and W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to [123-51-3] Phys. Chem. Liq. 40, 703 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T ¼ /K 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-218 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99+%, Acros Organics, USA, stored over molecular sieves and distilled (s)a b c x2 x2 x1 before use. 1.0000 0.9803 0.01969 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 1.5% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: / / 77 Method Apparatus Procedure: (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Hexanol; C6H14O; [111-27-3] Woo, P. Taylor, and W. E. Acree, Jr., visible spectrophotometer. Phys. Chem. Liq. 40, 703 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9717 0.02831 recrystallized several times from anhydrous methanol. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99%, Aldrich Chemical Company, stored over molecular sieves and bx 2: mole fraction of component 2 in the saturated solution. distilled before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 4-Methyl-2-pentanol; C6H14O; Woo, P. Taylor, and W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium [108-11-2] Phys. Chem. Liq. 40, 703 (2002). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from anhydrous methanol. 2 2 1 (2) 99+%, Alfa Aesar, USA, stored over molecular sieves and distilled 1.0000 0.9824 0.01762 before use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. visible spectrophotometer. (2) 2-Methyl-1-pentanol; C6H14O; Woo, P. Taylor, and W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to [105-30-6] Phys. Chem. Liq. 40, 703 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T ¼ /K 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-219
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99+%, Acros Organics, USA, stored over molecular sieves and distilled (s)a b c x2 x2 x1 before use. 1.0000 0.9620 0.03800 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 1.5% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: / / 77 Method Apparatus Procedure: (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) 1-Heptanol; C7H16O; [111-70-6] Woo, P. Taylor, and W. E. Acree, Jr., visible spectrophotometer. Phys. Chem. Liq. 40, 703 (2002). Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
(s)a b c x2 x2 x1 Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 1.0000 0.9666 0.03340 recrystallized several times from anhydrous methanol. ax (s) 2 : initial mole fraction of component 2 in the solution. (2) 99+%, anhydrous, Aldrich Chemical Company, stored over molecular bx 2: mole fraction of component 2 in the saturated solution. sieves and distilled before use. c x1: mole fraction solubility of the solute. Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Components: Original Measurements: visible spectrophotometer. 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Excess solute and solvent were placed in amber glass bottles and allowed to (2) 1-Decanol; C10H22O; [112-30-1] Woo, P. Taylor, and W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium Phys. Chem. Liq. 40, 703 (2002). was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from anhydrous methanol. 2 2 1 (2) 99+%, Alfa Aesar, USA, stored over molecular sieves and distilled before 1.0000 0.9547 0.04528 use. a (s) x2 : initial mole fraction of component 2 in the solution. bx : mole fraction of component 2 in the saturated solution. Estimated Error: 2 cx : mole fraction solubility of the solute. Temperature: 0.1 K. 1 x1: 1.5% (relative error).
Auxiliary Information Method/Apparatus/Procedure: Components: Original Measurements: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. visible spectrophotometer. (2) 1-Octanol; C8H18O; [111-87-5] Woo, P. Taylor, and W. E. Acree, Jr., Excess solute and solvent were placed in amber glass bottles and allowed to Phys. Chem. Liq. 40, 703 (2002). equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Variables: Prepared by: equilibrium from supersaturation. Aliquots of saturated solutions were T ¼ /K 298.15 W. E. Acree, Jr. transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-220 WILLIAM E. ACREE, JR.
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99+%, Alfa Aesar, USA, stored over molecular sieves and distilled (s)a b c x2 x2 x1 before use. 1.0000 0.9570 0.04299 a (s) Estimated Error: x2 : initial mole fraction of component 2 in the solution. b Temperature: 0.1 K. x2: mole fraction of component 2 in the saturated solution. cx x1: 1.5% (relative error). 1: mole fraction solubility of the solute.
Auxiliary Information Components: Original Measurements: 77 Method/Apparatus/Procedure: (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ (2) Cyclopentanol; C5H10O; Woo, P. Taylor, and W. E. Acree, Jr., [96-41-3] Phys. Chem. Liq. 40, 703 (2002). visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to Variables: Prepared by: equilibrate for several days at constant temperature. Attainment of equilibrium T/K ¼ 298.15 W. E. Acree, Jr. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and Experimental Values diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. x (s)a x b x c 2 2 1 Source and Purity of Chemicals: 1.0000 0.9711 0.02886 (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was a (s) recrystallized several times from anhydrous methanol. x2 : initial mole fraction of component 2 in the solution. b (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. x2: mole fraction of component 2 in the saturated solution. cx : mole fraction solubility of the solute. 1 Estimated Error: Temperature: 0.1 K.
x1: 1.5% (relative error). Auxiliary Information Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements:
Excess solute and solvent were placed in amber glass bottles and allowed to (1) Xanthene; C13H10O; [92-83-1] W. E. Acree, Jr., equilibrate for several days at constant temperature. Attainment of equilibrium (2) 2-Propoxyethanol; C5H12O2; [2807-30-9] unpublished data. was verified by several repetitive measurements and by approaching equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: T ¼ transferred through a coarse filter into tared volumetric flasks, weighed and /K 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm. Experimental Values Source and Purity of Chemicals: (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x (s)a x b x c recrystallized several times from anhydrous methanol. 2 2 1 (2) 99+%, Aldrich Chemical Company, stored over molecular sieves and 1.0000 0.9435 0.05649 distilled before use. a (s) x2 : initial mole fraction of component 2 in the solution. b x2: mole fraction of component 2 in the saturated solution. Estimated Error: c x1: mole fraction solubility of the solute. Temperature: 0.1 K. x1: 1.5% (relative error).
Auxiliary Information 15.6. Xanthene solubility data in alkoxyalcohols Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Components: Original Measurements: Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium (1) Xanthene; C13H10O; [92-83-1] W. E. Acree, unpublished was verified by several repetitive measurements and by approaching (2) 2-Ethoxyethanol; C4H10O2; [110-80-5] data. equilibrium from supersaturation. Aliquots of saturated solutions were Variables: Prepared by: transferred through a coarse filter into tared volumetric flasks, weighed and T/K ¼ 298.15 W. E. Acree, Jr. diluted with methanol. Concentrations were determined by spectrophotometric measurements at 280 nm.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions IUPAC-NIST SOLUBILITY DATA SERIES. 98-3 013105-221
Source and Purity of Chemicals: Experimental Values (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. (s)a b c x2 x2 x1 1.0000 0.9471 0.05288 Estimated Error: a (s) Temperature: 0.1 K. x2 : initial mole fraction of component 2 in the solution. bx x1: 1.5% (relative error). 2: mole fraction of component 2 in the saturated solution. c x1: mole fraction solubility of the solute.
Components: Original Measurements: (1) Xanthene; C13H10O; [92-83-1] W. E. Acree, Jr., unpublished data. Auxiliary Information (2) 2-Isopropoxyethanol; C5H12O2; [109-59-1] Method/Apparatus/Procedure: Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ Variables: Prepared by: visible spectrophotometer. T ¼ /K 298.15 W. E. Acree, Jr. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium was verified by several repetitive measurements and by approaching Experimental Values equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by x (s)a x b x c 2 2 1 spectrophotometric measurements at 280 nm. 1.0000 0.9471 0.05285 a (s) Source and Purity of Chemicals: x2 : initial mole fraction of component 2 in the solution. b (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was x2: mole fraction of component 2 in the saturated solution. c recrystallized several times from anhydrous methanol. x1: mole fraction solubility of the solute. (2) 99+%, Acros Organics, USA, stored over anhydrous sodium sulfate and molecular sieves before use.
Estimated Error: Auxiliary Information Temperature: 0.1 K. x : 1.5% (relative error). Method/Apparatus/Procedure: 1 Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ visible spectrophotometer. Excess solute and solvent were placed in amber glass bottles and allowed to equilibrate for several days at constant temperature. Attainment of equilibrium 15.7. Xanthene solubility data in miscellaneous was verified by several repetitive measurements and by approaching organic solvents equilibrium from supersaturation. Aliquots of saturated solutions were transferred through a coarse filter into tared volumetric flasks, weighed and diluted with methanol. Concentrations were determined by Components: Original Measurements: spectrophotometric measurements at 280 nm. 77 (1) Xanthene; C13H10O; [92-83-1] C. I. Monárrez, D. M. Stovall, J. H. (2) Ethanenitrile; C H N; [75-05-8] Woo, P. Taylor, and W. E. Acree, Jr., Source and Purity of Chemicals: 2 3 Phys. Chem. Liq. 40, 703 (2002). (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was recrystallized several times from anhydrous methanol. Variables: Prepared by: (2) 99%, Aldrich Chemical Company, stored over molecular sieves before use. T/K ¼ 298.15 W. E. Acree, Jr.
Estimated Error: Temperature: 0.1 K. Experimental Values x1: 1.5% (relative error).
(s)a b c x2 x2 x1 1.0000 0.9803 0.01970 Components: Original Measurements: a (s) x2 : initial mole fraction of component 2 in the solution. (1) Xanthene; C13H10O; [92-83-1] W. E. Acree, Jr., b x2: mole fraction of component 2 in the saturated solution. (2) 2-Butoxyethanol; C6H14O2; [111-76-2] unpublished data. c x1: mole fraction solubility of the solute. Variables: Prepared by: T/K ¼ 298.15 W. E. Acree, Jr.
J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
Downloaded 04 Mar 2013 to 129.120.139.109. Redistribution subject to AIP license or copyright; see http://jpcrd.aip.org/about/rights_and_permissions 013105-222 WILLIAM E. ACREE, JR.
Auxiliary Information 25C. I. Monárrez, P. G. Taylor, A. M. Tran, and W. E. Acree, Jr., J. Chem. Eng. 48 / / Data , 1341 (2003). Method Apparatus Procedure: 26J. R. Powell, K. A. Fletcher, K. S. Coym, W. E. Acree, Jr., V. G. Varanasi, Constant-temperature bath, calorimetric thermometer, and an ultraviolet/ and S. W. Campbell, Int. J. Thermophys. 18, 1495 (1997). visible spectrophotometer. 27J. R. Powell, M. E. R. McHale, A.-S. M. Kauppila, P. Otero, M. Jayasekera, Excess solute and solvent were placed in amber glass bottles and allowed to and W. E. Acree, Jr., J. Chem. Eng. Data 40, 1270 (1995). equilibrate for several days at constant temperature. Attainment of equilibrium 28W. E. Acree, Jr. and M. H. Abraham, Can. J. Chem. 79, 1466 (2001). was verified by several repetitive measurements and by approaching 29C. E. Hernández, L. E. Roy, T. Deng, M. B. Tuggle, and W. E. Acree, Jr., equilibrium from supersaturation. Aliquots of saturated solutions were Phys. Chem. Liq. 37, 677 (1999). transferred through a coarse filter into tared volumetric flasks, weighed and 30C. E. Hernández, L. E. Roy, G. D. Reddy, G. L. Martinez, A. Jackson, G. diluted with methanol. Concentrations were determined by Brown, and W. E. Acree, Jr., Chem. Eng. Commun. 169, 137 (1998). spectrophotometric measurements at 280 nm. 31C. E. Hernández, L. E. Roy, G. D. Reddy, G. L. Martinez, A. Jackson, G. Brown, T. L. Borders, J. T. Sanders, and W. E. Acree, Jr., Phys. Chem. Liq. Source and Purity of Chemicals: 36, 257 (1998). (1) 98%, Aldrich Chemical Company, Milwaukee, WI, USA, was 32M. E. R. McHale, A.-S. M. Kauppila, J. R. Powell, and W. E. Acree, Jr., J. recrystallized several times from anhydrous methanol. Chem. Thermodyn. 28, 209 (1996). (2) 99.8%, anhydrous, Aldrich Chemical Company, stored over molecular 33C. E. Hernández, L. E. Roy, G. D. Reddy, T. L. Borders, J. T. Sanders, and sieves and distilled before use. W. E. Acree, Jr., Phys. Chem. Liq. 37, 31 (1998). 34A. 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J. Phys. Chem. Ref. Data, Vol. 42, No. 1, 2013
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