Unified Physical Property Estimation Relationships, UPPER
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United States Patent Office Patented June 17, 1969
3,450,782 United States Patent Office Patented June 17, 1969 2 1,3-dibromocyclobutane with sodium in refluxing dioxane, 3,450,782 PROCESS FOR THE PREPARATION OF K. B. Wiberg, G. M. Lampman, R. P. Ciula, D. S. Con CYCLICALKANES nor, P. Scherter, and J. Lavanesh, Tetrahedron, 21, 2749 Daniel S. Connor, Cincinnati, Ohio, assignor to The (1695), bicyclo[1.1.1 pentane by treatment of 3-(bromo Procter & Gamble Company, Cincinnati, Ohio, a cor methyl)-cyclobutyl bromide with sodium metal at a 0.5% poration of Ohio yield, with lithium amalgam in refluxing dioxane at a No Drawing. Filed Nov. 29, 1967, Ser. No. 686,738 4.2% yield and with sodium/naphtahalene at a 8% yield, Int, C. C07c I/28 K. B. Wiberg, D. S. Connor, and G. M. Lampman, Tetra U.S. C. 260-666 8 Claims hedron Letters, 531 (1964); K. B. Wiberg and D. S. Con 0 nor, J. Am. Chem. Soc., 88, 4437 (1966). On examination of the literature hereinbefore cited ABSTRACT OF THE DISCLOSURE on cyclization, it is apparent that the yields obtained were This invention concerns the preparation of cyclic al extremely low, that the conditions for reaction when it kanes from dihalogenated alkanes using lithium amalgam. did occur were quite severe, and that the starting materials 5 used were less than common. OBJECTS OF THE INVENTION SUMMARY OF THE INVENTION The use of the method of this invention to obtain cyclic The object of this invention is to prepare cyclic al compounds provides a valuable synthetic tool heretofore kanes from the halogenated straight chain starting ma 20 unknown to chemists, thus enabling the production of terials using lithium amalgam to remove the halogens valuable end products. -
Section 13. Disposal Considerations Disposal Methods : the Generation of Waste Should Be Avoided Or Minimized Wherever Possible
SAFETY DATA SHEET Flammable Liquid Mixture: Docosane / Dodecane / Dotriacontane / Eicosane / Heptane / Hexacosane / Hexadecane / Hexane / N-Decane / N-Nonane / N- Octadecane / Octacosane / Octane / Tetracosane / Tetradecane / Triacontane Section 1. Identification GHS product identifier : Flammable Liquid Mixture: Docosane / Dodecane / Dotriacontane / Eicosane / Heptane / Hexacosane / Hexadecane / Hexane / N-Decane / N-Nonane / N-Octadecane / Octacosane / Octane / Tetracosane / Tetradecane / Triacontane Other means of : Not available. identification Product use : Synthetic/Analytical chemistry. SDS # : 019981 Supplier's details : Airgas USA, LLC and its affiliates 259 North Radnor-Chester Road Suite 100 Radnor, PA 19087-5283 1-610-687-5253 24-hour telephone : 1-866-734-3438 Section 2. Hazards identification OSHA/HCS status : This material is considered hazardous by the OSHA Hazard Communication Standard (29 CFR 1910.1200). Classification of the : FLAMMABLE LIQUIDS - Category 1 substance or mixture SKIN CORROSION/IRRITATION - Category 2 SERIOUS EYE DAMAGE/ EYE IRRITATION - Category 2A TOXIC TO REPRODUCTION (Fertility) - Category 2 TOXIC TO REPRODUCTION (Unborn child) - Category 2 SPECIFIC TARGET ORGAN TOXICITY (SINGLE EXPOSURE) (Narcotic effects) - Category 3 SPECIFIC TARGET ORGAN TOXICITY (REPEATED EXPOSURE) - Category 2 AQUATIC HAZARD (ACUTE) - Category 2 AQUATIC HAZARD (LONG-TERM) - Category 1 GHS label elements Hazard pictograms : Signal word : Danger Hazard statements : Extremely flammable liquid and vapor. May form explosive mixtures in Air. Causes serious eye irritation. Causes skin irritation. Suspected of damaging fertility or the unborn child. May cause drowsiness and dizziness. May cause damage to organs through prolonged or repeated exposure. Very toxic to aquatic life with long lasting effects. Precautionary statements General : Read label before use. Keep out of reach of children. If medical advice is needed, have product container or label at hand. -
Catalytic Pyrolysis of Plastic Wastes for the Production of Liquid Fuels for Engines
Electronic Supplementary Material (ESI) for RSC Advances. This journal is © The Royal Society of Chemistry 2019 Supporting information for: Catalytic pyrolysis of plastic wastes for the production of liquid fuels for engines Supattra Budsaereechaia, Andrew J. Huntb and Yuvarat Ngernyen*a aDepartment of Chemical Engineering, Faculty of Engineering, Khon Kaen University, Khon Kaen, 40002, Thailand. E-mail:[email protected] bMaterials Chemistry Research Center, Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Khon Kaen University, Khon Kaen, 40002, Thailand Fig. S1 The process for pelletization of catalyst PS PS+bentonite PP ) t e PP+bentonite s f f o % ( LDPE e c n a t t LDPE+bentonite s i m s n HDPE a r T HDPE+bentonite Gasohol 91 Diesel 4000 3500 3000 2500 2000 1500 1000 500 Wavenumber (cm-1) Fig. S2 FTIR spectra of oil from pyrolysis of plastic waste type. Table S1 Compounds in oils (%Area) from the pyrolysis of plastic wastes as detected by GCMS analysis PS PP LDPE HDPE Gasohol 91 Diesel Compound NC C Compound NC C Compound NC C Compound NC C 1- 0 0.15 Pentane 1.13 1.29 n-Hexane 0.71 0.73 n-Hexane 0.65 0.64 Butane, 2- Octane : 0.32 Tetradecene methyl- : 2.60 Toluene 7.93 7.56 Cyclohexane 2.28 2.51 1-Hexene 1.05 1.10 1-Hexene 1.15 1.16 Pentane : 1.95 Nonane : 0.83 Ethylbenzen 15.07 11.29 Heptane, 4- 1.81 1.68 Heptane 1.26 1.35 Heptane 1.22 1.23 Butane, 2,2- Decane : 1.34 e methyl- dimethyl- : 0.47 1-Tridecene 0 0.14 2,2-Dimethyl- 0.63 0 1-Heptene 1.37 1.46 1-Heptene 1.32 1.35 Pentane, -
Alteration of Volatile Chemical Composition in Tobacco Plants Due to Green Peach Aphid (Myzus Persicae Sulzer) (Hemiptera: Aphididae) Feeding
Song et al.: Green peach aphid (Myzus persicae Sulzer) (Hemiptera: Aphididae) feeding alters volatile composition in tobacco plants - 159 - ALTERATION OF VOLATILE CHEMICAL COMPOSITION IN TOBACCO PLANTS DUE TO GREEN PEACH APHID (MYZUS PERSICAE SULZER) (HEMIPTERA: APHIDIDAE) FEEDING SONG, Y. Z.1,2,3 – GUO, Y. Q.1,2 – CAI, P. M.2,3 – CHEN, W. B.1,2 – LIU, C. M.1,2* 1Biological Control Research Institute, College of Plant Protection, Fujian Agriculture and Forestry University, Fuzhou 350002, China e-mail: [email protected] (Song, Y. Z.); [email protected] (Guo, Y. Q.); [email protected] (Chen, W. B.) 2State Key Laboratory of Ecological Pest Control for Fujian and Taiwan Crops, Fuzhou 350002, China e-mail: [email protected] (Cai, P. M.) 3Department of Horticulture, College of Tea and Food Science, Wuyi University, Wuyishan 354300, China *Corresponding author e-mail: [email protected]; phone: +86-0591-8378-9420; fax: +86-0591-8378-9421 (Received 10th Jul 2020; accepted 6th Oct 2020) Abstract. In response to insect pest herbivory, plants can generate volatile components that may serve multiple roles as communication signals and defence agents in a multitrophic context. In the present study, the volatile profiles of tobacco plants Nicotiana tabacum L., with and without infestation by sap-sucking aphids Myzus persicae Sulzer, were measured by gas chromatography-mass spectrometry (GC-MS). The results revealed that a total of 10 compounds were identified from healthy tobacco plants, and a total of 14 and 16 compounds were isolated from aphid-infested tobacco plants at 24 and 48 hours after infestation, respectively. -
Synthetic Turf Scientific Advisory Panel Meeting Materials
California Environmental Protection Agency Office of Environmental Health Hazard Assessment Synthetic Turf Study Synthetic Turf Scientific Advisory Panel Meeting May 31, 2019 MEETING MATERIALS THIS PAGE LEFT BLANK INTENTIONALLY Office of Environmental Health Hazard Assessment California Environmental Protection Agency Agenda Synthetic Turf Scientific Advisory Panel Meeting May 31, 2019, 9:30 a.m. – 4:00 p.m. 1001 I Street, CalEPA Headquarters Building, Sacramento Byron Sher Auditorium The agenda for this meeting is given below. The order of items on the agenda is provided for general reference only. The order in which items are taken up by the Panel is subject to change. 1. Welcome and Opening Remarks 2. Synthetic Turf and Playground Studies Overview 4. Synthetic Turf Field Exposure Model Exposure Equations Exposure Parameters 3. Non-Targeted Chemical Analysis Volatile Organics on Synthetic Turf Fields Non-Polar Organics Constituents in Crumb Rubber Polar Organic Constituents in Crumb Rubber 5. Public Comments: For members of the public attending in-person: Comments will be limited to three minutes per commenter. For members of the public attending via the internet: Comments may be sent via email to [email protected]. Email comments will be read aloud, up to three minutes each, by staff of OEHHA during the public comment period, as time allows. 6. Further Panel Discussion and Closing Remarks 7. Wrap Up and Adjournment Agenda Synthetic Turf Advisory Panel Meeting May 31, 2019 THIS PAGE LEFT BLANK INTENTIONALLY Office of Environmental Health Hazard Assessment California Environmental Protection Agency DRAFT for Discussion at May 2019 SAP Meeting. Table of Contents Synthetic Turf and Playground Studies Overview May 2019 Update ..... -
Sampling Dynamics for Volatile Organic Compounds Using Headspace Solid-Phase Microextraction Arrow for Microbiological Samples
separations Communication Sampling Dynamics for Volatile Organic Compounds Using Headspace Solid-Phase Microextraction Arrow for Microbiological Samples Kevin E. Eckert 1, David O. Carter 2 and Katelynn A. Perrault 1,* 1 Laboratory of Forensic and Bioanalytical Chemistry, Forensic Sciences Unit, Division of Natural Sciences and Mathematics, Chaminade University of Honolulu, 3140 Waialae Ave., Honolulu, HI 96816, USA; [email protected] 2 Laboratory of Forensic Taphonomy, Forensic Sciences Unit, Division of Natural Sciences and Mathematics, Chaminade University of Honolulu, 3140 Waialae Avenue, Honolulu, HI 96816, USA; [email protected] * Correspondence: [email protected] Received: 10 August 2018; Accepted: 27 August 2018; Published: 10 September 2018 Abstract: Volatile organic compounds (VOCs) are monitored in numerous fields using several commercially-available sampling options. Sorbent-based sampling techniques, such as solid-phase microextraction (SPME), provide pre-concentration and focusing of VOCs prior to gas chromatography–mass spectrometry (GC–MS) analysis. This study investigated the dynamics of SPME Arrow, which exhibits an increased sorbent phase volume and improved durability compared to traditional SPME fibers. A volatile reference mixture (VRM) and saturated alkanes mix (SAM) were used to investigate optimal parameters for microbiological VOC profiling in combination with GC–MS analysis. Fiber type, extraction time, desorption time, carryover, and reproducibility were characterized, in addition to a comparison with traditional SPME fibers. The developed method was then applied to longitudinal monitoring of Bacillus subtilis cultures, which represents a ubiquitous microbe in medical, forensic, and agricultural applications. The carbon wide range/polydimethylsiloxane (CWR/PDMS) fiber was found to be optimal for the range of expected VOCs in microbiological profiling, and a statistically significant increase in the majority of VOCs monitored was observed. -
Certificate of Analysis
National Institute of Standards & Technology Certificate of Analysis Standard Reference Material 2285 Ignitable Liquids Test Mixture This Standard Reference Material (SRM) is intended primarily for use in the calibration of chromatographic instrumentation used for the classification of an ignitable liquid residue. SRM 2285 is a solution of 15 compounds, including even carbon number aliphatic hydrocarbons from hexane to tetracosane, toluene, p-xylene, 2-ethyltoluene, 3-ethyltoluene, and 1,2,4-trimethylbenzene in methylene chloride. A unit of SRM 2285 consists of five 2 mL ampoules, each containing approximately 1.2 mL of solution. Certified Mass Fraction Values: The certified values for the 15 constituents are given in Table 1. These values are based on results obtained from the gravimetric preparation of this solution and from the analytical results determined by using gas chromatography. A NIST certified value is a value for which NIST has the highest confidence in its accuracy in that all known or suspected sources of uncertainty have been investigated or taken into account [1]. Information Concentration Values: Information values for concentrations, expressed as percent volume fractions, are provided in Table 2 for the components. An information value is considered to be a value that will be of interest and use to the SRM user, but insufficient information is available to assess adequately the uncertainty associated with the value or only a limited number of analyses were performed [1]. Expiration of Certification: The certification of SRM 2285 is valid, within the measurement uncertainty specified, until 30 March 2023, provided the SRM is handled and stored in accordance with the instructions given in this certificate (see “Instructions for Handling, Storage, and Use”). -
Vapor Pressures and Vaporization Enthalpies of the N-Alkanes from C31 to C38 at T ) 298.15 K by Correlation Gas Chromatography
BATCH: je3a29 USER: ckt69 DIV: @xyv04/data1/CLS_pj/GRP_je/JOB_i03/DIV_je030236t DATE: March 15, 2004 1 Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from 2 C31 to C38 at T ) 298.15 K by Correlation Gas Chromatography 3 James S. Chickos* and William Hanshaw 4 Department of Chemistry and Biochemistry, University of MissourisSt. Louis, St. Louis, Missouri 63121, USA 5 6 The temperature dependence of gas-chromatographic retention times for henitriacontane to octatriacontane 7 is reported. These data are used in combination with other literature values to evaluate the vaporization 8 enthalpies and vapor pressures of these n-alkanes from T ) 298.15 to 575 K. The vapor pressure and 9 vaporization enthalpy results obtained are compared with existing literature data where possible and 10 found to be internally consistent. The vaporization enthalpies and vapor pressures obtained for the 11 n-alkanes are also tested directly and through the use of thermochemical cycles using literature values 12 for several polyaromatic hydrocarbons. Sublimation enthalpies are also calculated for hentriacontane to 13 octatriacontane by combining vaporization enthalpies with temperature adjusted fusion enthalpies. 14 15 Introduction vaporization enthalpies of C21 to C30 to include C31 to C38. 54 The vapor pressures and vaporization enthalpies of these 55 16 Polycyclic aromatic hydrocarbons (PAHs) are important larger n-alkanes have been evaluated using the technique 56 17 environmental contaminants, many of which exhibit very of correlation gas chromatography. This technique relies 57 18 low vapor pressures. In the gas phase, they exist mainly entirely on the use of standards in assessment. Standards 58 19 sorbed to aerosol particles. -
Advanced Separation Techniques Combined with Mass Spectrometry for Difficult Analytical Tasks - Isomer Separation and Oil Analysis
FINNISH METEOROLOGICAL INSTITUTE Erik Palménin aukio 1 P.O. Box 503 FI-00101 HELSINKI 131 CONTRIBUTIONS tel. +358 29 539 1000 WWW.FMI.FI FINNISH METEOROLOGICAL INSTITUTE CONTRIBUTIONS No. 131 ISBN 978-952-336-016-7 (paperback) ISSN 0782-6117 Erweko Helsinki 2017 ISBN 978-952-336-017-4 (pdf) Helsinki 2017 ADVANCED SEPARATION TECHNIQUES COMBINED WITH MASS SPECTROMETRY FOR DIFFICULT ANALYTICAL TASKS - ISOMER SEPARATION AND OIL ANALYSIS JAAKKO LAAKIA Department of Chemistry University of Helsinki Finland Advanced separation techniques combined with mass spectrometry for difficult analytical tasks – isomer separation and oil analysis Jaakko Laakia Academic Dissertation To be presented, with the permission of the Faculty of Science of the University of Helsinki, for public criticism in Auditorium A129 of the Department of Chemistry (A.I. Virtasen aukio 1, Helsinki) on May 12th, 2017, at 12 o’clock noon. Helsinki 2017 1 TABLE OF CONTENTS ABSTRACT 4 Supervisors Professor Tapio Kotiaho TIIVISTELMÄ 5 Department of Chemistry LIST OF ORIGINAL PAPERS 6 Faculty of Science ACKNOWLEDGEMENTS 7 ABBREVIATIONS 8 and 1. INTRODUCTION 10 Division of Pharmaceutical Chemistry and Technology 1.1.1 Basic operation principles of ion mobility 12 spectrometry 11 Faculty of Pharmacy 1.1.2 Applications of ion mobility spectrometry 16 University of Helsinki 1.2 Basic operation principles and applications of two-dimensional gas 19 chromatography – time-of-flight mass spectrometry Docent Tiina Kauppila 1.3 Aims of study 23 Division of Pharmaceutical Chemistry and Technology -
Benchmarking and Application of Density Functional Methods In
BENCHMARKING AND APPLICATION OF DENSITY FUNCTIONAL METHODS IN COMPUTATIONAL CHEMISTRY by BRIAN N. PAPAS (Under Direction the of Henry F. Schaefer III) ABSTRACT Density Functional methods were applied to systems of chemical interest. First, the effects of integration grid quadrature choice upon energy precision were documented. This was done through application of DFT theory as implemented in five standard computational chemistry programs to a subset of the G2/97 test set of molecules. Subsequently, the neutral hydrogen-loss radicals of naphthalene, anthracene, tetracene, and pentacene and their anions where characterized using five standard DFT treatments. The global and local electron affinities were computed for the twelve radicals. The results for the 1- naphthalenyl and 2-naphthalenyl radicals were compared to experiment, and it was found that B3LYP appears to be the most reliable functional for this type of system. For the larger systems the predicted site specific adiabatic electron affinities of the radicals are 1.51 eV (1-anthracenyl), 1.46 eV (2-anthracenyl), 1.68 eV (9-anthracenyl); 1.61 eV (1-tetracenyl), 1.56 eV (2-tetracenyl), 1.82 eV (12-tetracenyl); 1.93 eV (14-pentacenyl), 2.01 eV (13-pentacenyl), 1.68 eV (1-pentacenyl), and 1.63 eV (2-pentacenyl). The global minimum for each radical does not have the same hydrogen removed as the global minimum for the analogous anion. With this in mind, the global (or most preferred site) adiabatic electron affinities are 1.37 eV (naphthalenyl), 1.64 eV (anthracenyl), 1.81 eV (tetracenyl), and 1.97 eV (pentacenyl). In later work, ten (scandium through zinc) homonuclear transition metal trimers were studied using one DFT 2 functional. -
Revised Group Additivity Values for Enthalpies of Formation (At 298 K) of Carbon– Hydrogen and Carbon–Hydrogen–Oxygen Compounds
Revised Group Additivity Values for Enthalpies of Formation (at 298 K) of Carbon– Hydrogen and Carbon–Hydrogen–Oxygen Compounds Cite as: Journal of Physical and Chemical Reference Data 25, 1411 (1996); https://doi.org/10.1063/1.555988 Submitted: 17 January 1996 . Published Online: 15 October 2009 N. Cohen ARTICLES YOU MAY BE INTERESTED IN Additivity Rules for the Estimation of Molecular Properties. Thermodynamic Properties The Journal of Chemical Physics 29, 546 (1958); https://doi.org/10.1063/1.1744539 Critical Evaluation of Thermochemical Properties of C1–C4 Species: Updated Group- Contributions to Estimate Thermochemical Properties Journal of Physical and Chemical Reference Data 44, 013101 (2015); https:// doi.org/10.1063/1.4902535 Estimation of the Thermodynamic Properties of Hydrocarbons at 298.15 K Journal of Physical and Chemical Reference Data 17, 1637 (1988); https:// doi.org/10.1063/1.555814 Journal of Physical and Chemical Reference Data 25, 1411 (1996); https://doi.org/10.1063/1.555988 25, 1411 © 1996 American Institute of Physics for the National Institute of Standards and Technology. Revised Group Additivity Values for Enthalpies of Formation (at 298 K) of Carbon-Hydrogen and Carbon-Hydrogen-Oxygen Compounds N. Cohen Thermochemical Kinetics Research, 6507 SE 31st Avenue, Portland, Oregon 97202-8627 Received January 17, 1996; revised manuscript received September 4, 1996 A program has been undertaken for the evaluation and revision of group additivity values (GAVs) necessary for predicting, by means of Benson's group additivity method, thermochemical properties of organic molecules. This review reports on the portion of that program dealing with GAVs for enthalpies of formation at 298.15 K (hereinafter abbreviated as 298 K) for carbon-hydrogen and carbon-hydrogen-oxygen compounds. -
Safety Data Sheet
SAFETY DATA SHEET Flammable Liquid Mixture: Docosane / Dodecane / Eicosane / Hexacosane / Hexadecane / Hexane / N-Decane / N-Heptane / N-Nonane / N-Octadecane / N- Octane / Octacosane / Tetracosane / Tetradecane Section 1. Identification GHS product identifier : Flammable Liquid Mixture: Docosane / Dodecane / Eicosane / Hexacosane / Hexadecane / Hexane / N-Decane / N-Heptane / N-Nonane / N-Octadecane / N-Octane / Octacosane / Tetracosane / Tetradecane Other means of : Not available. identification Product use : Synthetic/Analytical chemistry. SDS # : 019735 Supplier's details : Airgas USA, LLC and its affiliates 259 North Radnor-Chester Road Suite 100 Radnor, PA 19087-5283 1-610-687-5253 24-hour telephone : 1-866-734-3438 Section 2. Hazards identification OSHA/HCS status : This material is considered hazardous by the OSHA Hazard Communication Standard (29 CFR 1910.1200). Classification of the : FLAMMABLE LIQUIDS - Category 1 substance or mixture SKIN CORROSION/IRRITATION - Category 2 SERIOUS EYE DAMAGE/ EYE IRRITATION - Category 2A TOXIC TO REPRODUCTION (Fertility) - Category 2 TOXIC TO REPRODUCTION (Unborn child) - Category 2 SPECIFIC TARGET ORGAN TOXICITY (SINGLE EXPOSURE) (Respiratory tract irritation) - Category 3 SPECIFIC TARGET ORGAN TOXICITY (SINGLE EXPOSURE) (Narcotic effects) - Category 3 SPECIFIC TARGET ORGAN TOXICITY (REPEATED EXPOSURE) - Category 2 AQUATIC HAZARD (ACUTE) - Category 2 AQUATIC HAZARD (LONG-TERM) - Category 1 GHS label elements Hazard pictograms : Signal word : Danger Hazard statements : Extremely flammable liquid and vapor. May form explosive mixtures in Air. Causes serious eye irritation. Causes skin irritation. May cause respiratory irritation. Suspected of damaging fertility or the unborn child. May cause drowsiness and dizziness. May cause damage to organs through prolonged or repeated exposure. Very toxic to aquatic life with long lasting effects. Precautionary statements General : Read label before use.