Thomas M. Koller,*,A Corina Steininger,A Michael H. Rausch,A and Andreas P. Fröbaa

A Simple Prediction Method for the Surface Tension of Ionic Liquids as a Function of TemperatureThomas M. Koller,*,a Corina Steininger,a Michael H. Rausch,a and Andreas P. Fröbaaa Institute of Advanced Optical Technologies ‒ Thermophysical Properties (AOT-TP), Department of Chemical and Biological Engineering (CBI) and Erlangen Graduate School in Advanced Optical Technologies (SAOT), Friedrich-Alexander-University Erlangen-Nürnberg (FAU), Paul-Gordan-Straße 6, 91052 Erlangen, GermanySupplementary MaterialTable S1 Summary of references providing experimental data for the surface tension sexp(T) and density r exp(T) of ILs at atmospheric pressure used in the present study. For each surface tension data set assigned to the corresponding class depending on the anion type, also the studied range for the temperature T, the number of data points N, the stated uncertainty for sexp(T), and the root-mean-square (rms) deviation with respect to the prediction method based on Eq. 11 are given.IL / Ref. for sexp(T) / Temperature range T (K) / N / Uncertainty for sexp (T) / rmsa / Ref. for rexp(T) CLASS 1 Formate ([HCOO]−) [BMIM][HCOO] / [1] / 298.15-343.15 / 6b / 0.2 % / 14.0 / [1] Acetate ([CH3COO]−) [EMIM][CH3COO] / [2] / 298.1 / 1b / 0.3 % / 12.4 / [2] [3] / 298.15 / 1b / not stated / 16.1 / [3] [C3MIM][CH3COO] / [2] / 298.1 / 1b / 0.3 % / 10.2 / [2] [BMIM][CH3COO] / [4] / 298-343.5 / 6b / 0.3 % / 3.9 / [4] [5] / 293.2-328.2 / 8b / 0.3 % / 1.0 / [5] [1] / 298.15-343.15 / 6b / 0.3 % / 4.7 / [1] [2] / 298.1 / 1b / 0.3 % / 9.5 / [2] [C5MIM][CH3COO] / [2] / 298.1 / 1b / 0.3 % / 11.5 / [2] [HMIM][CH3COO] / [2] / 298.1 / 1b / 0.3 % / 7.7 / [2] [C4mpyr][CH3COO] / [4] / 298.3-343 / 6b / 0.3 % / 1.2 / [4] Propanoate ([CH3CH2COO]−) [BMIM][CH3CH2COO] / [1] / 298.15-343.15 / 6b / 0.3 % / 0.8 / [1] Butanoate ([CH3(CH2)2COO]−) [BMIM][CH3(CH2)2COO] / [1] / 298.15-343.15 / 6b / 0.3 % / 3.7 / [1] Octanoate ([CH3(CH2)6COO]−) [IM][CH3(CH2)6COO ] / [6] / 298.15 / 1b / 0.1 % / 7.9 / [6] Methanesulfonate ([MeSO3]−) [EMIM][MeSO3] / [7] / 298.15 / 1b / not stated / 10.4 / [3] [3] / 298.15 / 1b / not stated / 11.0 / [3] [P666(14)][MeSO3] / [8] / 298.6-342.7 / 6b / 0.1-0.2 % / 4.1 / [9] Trifluoromethanesulfonate ([CF3SO3]−) [EMIM][CF3SO3] / [10] / 268.36-356.28 / 18b / 0.01-0.5 % / 10.7 / [10] [10] / 268.29-356.09 / 17b / 0.01-0.3 % / 10.8 / [10] [11] / 296.28-353.56 / 13 / 0.1 % / 1.3 / [12] [13] / 298.2-344.9 / 6b / 0.2-1.3 % / 9.6 / [12] [14] / 298.15 / 1b / 1 % / 2.9 / [14] [BMIM][CF3SO3] / [10] / 292.18-355.89 / 26b / 0.01-0.04 % / 11.1 / [15] [10] / 292.24-356 / 24b / 0.01-0.1 % / 10.6 / [16] [17] / 298.15c / 1b / 0.1 % / 1.5 / [17] [HMIM][CF3SO3] / [10] / 294.03-355.44 / 13b / 0.01-0.2 % / 9.9 / [16] [10] / 293.98-355.44 / 13b / 0.02-0.04 % / 9.7 / [16] [OMIM][CF3SO3] / [18] / 298.15 / 1b / 1 % / 9.7 / [18] [C4-3-C1py][CF3SO3] / [19] / 293.15-323.15 / 7b / 0.8 % / 11.6 / [19] Chloride ([Cl]−) [BMIM][Cl] / [20] / 298-393 / 20b / 0.6-0.7 % / 17.4 / [21] [HMIM][Cl] / [20] / 298-393 / 20b / 0.7-0.8 % / 11.1 / [20] [22] / 298.15 / 1b / not stated / 14.0 / [22] [OMIM][Cl] / [20] / 298-393 / 20b / 0.9-1.1 % / 9.1 / [20] [23] / 298.15-333.15 / 8b / 0.3 % / 7.1 / [23] [22] / 298.15 / 1b / not stated / 2.7 / [22] [18] / 298.15 / 1b / 1 % / 11.0 / [18] [P666(14)][Cl] / [8] / 298.6-342.7 / 5b / 0.1-0.2 % / 2.8 / [9] Bromide ([Br]−) [P666(14)][Br] / [24] / 293.15-343.15 / 11b / 0.1 % / 3.0 / [24] [8] / 298.1-344.2 / 6b / 0.1-0.3 % / 4.1 / [9] [OMIM][Br] / [18] / 298.15 / 1b / 1 % / 7.7 / [18] CLASS 2 bis((trifluoromethyl)sulfonyl)amide ([NTf2]−) [E2mpy][NTf2] / [25] / 278.1-330.65 / 22b / 0.03 % / 9.1 / [25] [P2mpy][NTf2] / [25] / 278.15-330.65 / 22b / 0.03 % / 8.0 / [25] [C43mpy][NTf2] / [26] / 283.15-338.15 / 12b / 0.3-0.4 % / 16.3 / [26] [C3mpy][NTf2] / [27] / 293.15-343.15 / 6b / 0.1 % / 4.8 / [28] [29] / 298.2 / 1b / 0.1 % / 2.0 / [29] [C3mpyr][NTf2] / [27] / 293.15-343.15 / 6b / 0.2 % / 7.0 / [30] [29] / 298.2 / 1a / 0.1 % / 4.6 / [29] [P666(14)][NTf2] / [31] / 273.49-364.76 / 19b / 0.5-0.7 % / 1.4 / [31] [31] / 273.52-364.97 / 19b / 0.5-0.7 % / 1.4 / [31] [11] / 298.2-349.8 / 11b / 0.2 % / 8.9 / [11] [8] / 298.2-343.2 / 6b / 0.7 % / 0.9 / [9] [27] / 293.15-343.15 / 6b / 0.2 % / 2.2 / [31] [32] / 298.2 / 1b / 0.3 % / 4.4 / [32] [C2py][NTf2] / [33] / 288.15-338.15 / 21b / 0.1 % / 3.4 / [33] [34] / 288.15-338.15 / 11b / 0.3 % / 2.9 / [34] [19] / 293.15-323.15 / 7b / 0.8 % / 2.1 / [19] [C4py][NTf2] / [19] / 293.15-323.15 / 7b / 0.9 % / 2.9 / [19] [C5py][NTf2] / [34] / 283.15-338.15 / 12b / 0.3 % / 2.0 / [34] [C6py][NTf2] / [35] / 283.15-338.15 / 12b / 0.3 % / 1.9 / [35] [19] / 293.15-323.15 / 7b / 0.9 % / 4.3 / [19] [MMIM][NTF2] / [36] / 298.3 to 342.7 / 6b / 0.3 % / 4.1 / [37] [18] / 298.15 / 1b / 1 % / 3.5 / [18] [EMIM][NTf2] / [38] / 313-532.2 / 20 / 2.8-4.2 % / 2.2 / [38] [16] / 283.16-351.54 / 15b / 0.1-0.3 % / 1.0 / [30] [39] / 283.15-368.15 / 11b / 0.3 % / 12.1 / [39] [11] / 298.7-331.02 / 10b / 0.1 % / 15.9 / [30] [40] / 263.61-363.58 / 21b / 0.5-0.6 % / 2.1 / [41] [42] / 293.15-308.15 / 4b / 0.3 % / 0.5 / [39] [43] / 278.75-328.15 / 6b / 0.3 % / 0.6 / [43] [44] / 293.15-343.15 / 6b / 0.1 % / 2.5 / [37] [18] / 298.15 / 1b / 1 % / 2.6 / [18] [14] / 298.2 / 1b / 1 % / 2.3 / [14] [C3MIM][NTf2] / [38] / 313.9-475.7 / 15 / 3.1-4.1 % / 4.0 / [38] [44] / 293.15-343.15 / 6b / 0.1 % / 0.3 / [37] [BMIM][NTf2] / [38] / 312.6-475.2 / 27 / 3.1-4.1 % / 5.4 / [38] [16] / 284.15-351.56 / 15b / 0.2 % / 2.1 / [45] [17] / 293.15-343.15 / 6b / 0.03-0.1 % / 1.3 / [37] [46] / 293.15-308.15 / 4b / 0.3 % / 3.6 / [37] [43] / 278.75-328.15 / 6b / 0.3 % / 2.7 / [43] [44] / 293.15-343.15 / 5b / 0.1 % / 1.3 / [37] [47] / 298.15 / 1b / 0.3 % / 3.3 / [47] [48] / 298.15 / 1b / not stated / 5.0 / [48] [22] / 298.15 / 1b / not stated / 11.2 / [22] [49] / 298.15 / 1b / 1 % / 2.2 / [49] [18] / 298.15 / 1b / 1 % / 9.0 / [18] [29] / 298.15 / 1b / 0.2 % / 1.8 / [29] [C5MIM][NTf2] / [38] / 312.7-512.9 / 20 / 3.4-5.0 % / 11.2 / [38] [44] / 293.15-343.15 / 6b / 0.1 % / 1.8 / [37] [HMIM][NTf2] / [16] / 283.17-351.11 / 15b / 0.1-0.6 % / 2.1 / [50] [38] / 313-532.4 / 12 / 3.4-5.4 % / 9.0 / [38] [51] / 283-348 / 4b / 0.3-1.4 % / 5.8 / [51] [44] / 293.15-343.15 / 6b / 0.1 % / 0.8 / [52] [52] / 298.15-338.15 / 5b / 0.1 % / 3.1 / [52] [53] / 298.15 / 1b / 0.1 % / 3.3 / [51] [18] / 298.15 / 1b / 1 % / 6.2 / [18] [C7MIM][NTF2] / [44] / 293.15-353.15 / 7b / 0.1 % / 1.1 / [37] [OMIM][NTf2] / [38] / 313-512.6 / 20 / 3.4-5.2 % / 7.8 / [38] [44] / 293.15-343.15 / 6b / 0.1 % / 0.7 / [38] [47] / 298.15 / 1b / 0.3 % / 1.3 / [47] [18] / 298.15 / 1b / 1 % / 5.6 / [18] [54] / 298.15 / 1b / 0.3 % / 2.2 / [54] [C9C1IM][NTf2] / [36] / 298.5-338.8 / 5b / 0.3 % / 2.7 / [37] [DMIM][NTF2] / [44] / 293.15-343.15 / 6b / 0.1 % / 2.6 / [38] [18] / 298.15 / 1b / 1 % / 3.8 / [18] [36] / 298.2-339.3 / 5b / 0.3 % / 3.6 / [38] [C11C1IM][NTf2] / [36] / 298-338.5 / 5b / 0.3 % / 4.8 / [37] [C12MIM][NTf2] / [38] / 333.3-532.6 / 11 / 3.8-6.9 % / 6.5 / [38] [18] / 298.15 / 1b / 1 % / 1.7 / [18] [36] / 298-338.9 / 5b / 0.3 % / 5.6 / [38] [N222,5][NTf2] / [55] / 298-373 / 16b / 0.6-0.7 % / 10.2 / [55] [N222,6][NTf2] / [55] / 298-373 / 16b / 0.6-0.7 % / 5.6 / [55] [11] / 299.54-347.11 / 10b / 0.1-0.2 % / 10.6 / [11] [N222,8][NTf2] / [55] / 298-368 / 15b / 0.6-0.7 % / 4.6 / [55] [N222,10][NTf2] / [55] / 298-373 / 16b / 0.6-0.8 % / 3.8 / [55] [N222,12][NTf2] / [55] / 298-373 / 16b / 0.6-0.8 % / 3.5 / [55] [N(4)111][NTf2] / [11] / 298.35-340.58 / 10b / 0.1 % / 13.4 / [11] [56] / 293.2-333.1 / 6b / 0.3 % / 2.8 / [56] [43] / 278.75-328.15 / 6b / 0.3 % / 5.3 / [43] [N(4)113][NTf2] / [11] / 299.1-324.9 / 14b / 0.1 % / 17.1 / [11] [N(6)111][NTf2] / [11] / 300.35-333.35 / 11 / 0.1 % / 10.7 / [11] [N(10)111][NTf2] / [11] / 300.96-347.26 / 10 / 0.1-0.2 % / 14.0 / [11] [N(6)113][NTf2] / [11] / 300.1-322.6 / 11 / 0.1 % / 16.0 / [11] [N4441][NTf2] / [56] / 293.3-323.2 / 5b / 0.3 % / 3.1 / [56] [N8881][ NTf2] / [43] / 278.75-328.15 / 6b / 0.3-0.4 % / 6.2 / [43] [C4C1MIM][NTf2] / [27] / 293.15-343.15 / 6b / 0.1-0.2 % / 6.9 / [37] [29] / 298.2 / 1b / 0.1 % / 4.2 / [29] [C2C2IM][NTf2] / [36] / 298.6-342.8 / 6b / 0.3 % / 2.9 / [37] [C3C3IM][NTf2] / [36] / 298.4-342 / 6b / 0.3 % / 1.3 / [37] [C4C4IM][NTf2] / [36] / 298.1-342.9 / 6b / 0.3 % / 2.0 / [37] [C5C5IM][NTf2] / [36] / 298.7-343.1 / 6b / 0.3-0.4 % / 2.9 / [37] [C6C6IM][NTf2] / [36] / 298.6-343.2 / 6b / 0.3-0.4 % / 4.0 / [37] [C7C7IM][NTf2] / [36] / 298.4-343.5 / 6b / 0.3-0.4 % / 3.8 / [37] [C8C8IM][NTf2] / [36] / 298.4-342.8 / 6b / 0.3-0.4 % / 3.3 / [37] [C9C9IM][NTf2] / [36] / 298.2-343 / 6b / 0.3-0.4 % / 2.2 / [37] [C10C10IM][NTf2] / [36] / 298.3-343.4 / 6b / 0.3-0.4 % / 1.8 / [37] [C2HIM][NTf2] / [57] / 298.2-342.9 / 6b / 0.3 % / 7.3 / [57] [C2C3IM][NTf2] / [57] / 298.2-343 / 6b / 0.3 % / 0.5 / [57] [C3C1Pip][NTf2] / [28] / 293.4-343.3 / 7b / 0.3 % / 6.0 / [28] [29] / 298.2 / 1b / 0.1 % / 6.0 / [29] [C4C1Pip][NTf2] / [28] / 293.3-343.1 / 7b / 0.3 % / 5.2 / [28] [C3C1Py][NTf2] / [28] / 293.3-343.2 / 7b / 0.3 % / 2.5 / [28] [C4C1Py][NTf2] / [28] / 293.3-343 / 7b / 0.3 % / 1.7 / [28] [19] / 293.15-323.15 / 7b / 0.8-0.9 % / 6.2 / [19] [S221][NTf2] / [56] / 293.2-343.1 / 7b / 0.3 % / 1.5 / [56] [S222][NTf2] / [56] / 293.3-343.1 / 7b / 0.3 % / 1.2 / [56] [C4-2-C1py][NTf2] / [19] / 293.15-323.15 / 7b / 0.8-0.9 % / 9.1 / [19] [C4-4-C1py][NTf2] / [19] / 293.15-323.15 / 7b / 0.9 % / 4.9 / [19] [BCN3Py][NTf2] / [58] / 298.15-338.15 / 5b / 0.1 % / 2.8 / [58] [HCN3Py][NTf2] / [58] / 298.15-338.15 / 5b / 0.1 % / 7.6 / [58] [OCN3Py][NTf2] / [58] / 298.15-338.15 / 5b / 0.1-0.2 % / 11.2 / [58] [HCN4Py][NTf2] / [58] / 298.15-338.15 / 5b / 0.1 % / 3.8 / [58] [BMPyr][NTf2] / [59] / 288.15-323.15 / 8b / 0.3 % / 0.4 / [59] [60] / 283.15-363.15 / 9b / 0.3 % / 7.2 / [60] [49] / 298.15 / 1b / 1 % / 0.4 / [49] [18] / 298.15 / 1b / 1 % / 2.7 / [18] [MPPyr][NTf2] / [59] / 288.15-323.15 / 8b / 0.3 % / 1.7 / [59] [C3C1Pyrr][NTf2] / [49] / 298.15 / 1b / 1 % / 1.9 / [49] [C6C1Pyrr][NTf2] / [49] / 298.15 / 1b / 1 % / 0.3 / [49] [C10C1Pyrr][NTf2] / [49] / 298.15 / 1b / 1 % / 2.8 / [49] [(OH)C2C1pyrr][NTf2] / [49] / 298.15 / 1b / 1 % / 8.7 / [49] [EimCH2CONHBu][NTf2] / [61] / 283.15-338.15 / 12b / 0.3 % / 1.1 / [61] [C8iQuin][NTf2] / [62] / 298.15 / 1b / 0.1 % / 3.8 / [62] [(OH)C2C1IM][NTF2] / [49] / 298.15 / 1b / 1 % / 3.2 / [49] [N11i33][NTf2] / [49] / 298.15 / 1b / 1 % / 1.9 / [49] [N11i34][NTf2] / [49] / 298.15 / 1b / 1 % / 0.04 / [49] [N11i36][NTf2] / [49] / 298.15 / 1b / 1 % / 1.3 / [49] [N11i310][NTf2] / [49] / 298.15 / 1b / 1 % / 3.4 / [49] [N11i3OHi3OH][NTf2] / [49] / 298.15 / 1b / 1 % / 13.6 / [49] [Me(EG)2C1IM][NTf2] / [18] / 298.15 / 1b / 1 % / 12.4 / [18] Bis((perfluoroethyl)sulfonyl)imide ([PF2N]−) [OMIM][PF2N] / [18] / 298.15 / 1b / 1 % / 9.1 / [18] Tris(trifluoromethylsulfonyl)methide ([CTF3]−) [BMIM][CTF3] / [49] / 298.15 / 1b / 1 % / 1.9 / [49] Tetrafluoroborate ([BF4]−) [O3mpy][BF4] / [63] / 278.15-328.15 / 21b / 0.03 % / 4.4 / [63] [PPy]BF4] / [64] / 298.15 / 1b / 0.02 % / 11.1 / [64] [BMPy][BF4] / [65] / 291.15-350.75 / 16b / 0.4-0.5 % / 4.1 / [65] [23] / 298.15-333.15 / 8 / 0.2 % / 4.8 / [23] [EMIM][BF4] / [10] / 288.05-355.91 / 14b / 0.01-0.05 % / 0.9 / [66] [10] / 288.06-355.99 / 14b / 0.01-0.03 % / 0.8 / [66] [60] / 283.15-363.15 / 9b / 0.2 % / 9.8 / [60] [1] / 298.15-338.15 / 9b / 1.0 % / 8.1 / [1] [67] / 298.15 / 1b / 0.9 % / 1.7 / [18] [18] / 298.15 / 1b / 1 % / 0.03 / [18] [14] / 298.15 / 1b / 1 % / 4.4 / [14] [68] / 298.15 / 1b / 0.02 % / 2.1 / [68] [69] / 298.15 / 1b / not stated / 0.5 / [69] [C3MIM][BF4] / [70] / 273.75-362.96 / 19b / 0.2-0.3 % / 1.2 / [70] [70] / 273.79-363.8 / 19b / 1.6-1.8 % / 1.7 / [70] [71] / 288.15-328.15 / 5b / 0.2 % / 2.2 / [70] [1] / 298.15-338.15 / 8b / 2 % / 5.4 / [1] [BMIM][BF4] / [20] / 298-393 / 20b / 0.7-0.8 % / 3.4 / [72] [16] / 284.25-351.44 / 15b / 0.04-0.2 % / 2.3 / [66] [16] / 284.17-351.23 / 15b / 0.1-0.5 % / 2.5 / [66] [65] / 293.65-360.95 / 10b / 0.5 % / 2.7 / [65] [73] / 298-323 / 6b / 1.0-1.2 % / 6.5 / [74] [75] / 283.15-333.15 / 6b / 0.02 % / 2.6 / [75] [71] / 288.15-328.15 / 5b / 0.2 % / 2.1 / [72] [1] / 298.15-338.15 / 9b / 2 % / 3.3 / [1] [17] / 293.15-341.35 / 6b / 0.04-0.05 % / 1.8 / [74] [76] / 298.2 / 1b / 1.1 % / 2.9 / [49] [22] / 298.15 / 1b / not stated / 2.6 / [22] [49] / 298.15 / 1b / 1 % / 2.4 / [49] [68] / 298.15 / 1b / 0.02 % / 0.2 / [68] [77] / 298.15 / 1b / not stated / 0.6 / [77] [C5MIM][BF4] / [70] / 283.06-364.61 / 17b / 0.2 % / 2.7 / [70] [70] / 263.64-364.6 / 21b / 1.5-1.7 % / 3.5 / [70] [71] / 288.15-328.15 / 5b / 0.2 % / 1.3 / [70] [1] / 298.15-338.15 / 9b / 2 % / 1.4 / [1] [78] / 278.15-338.15 / 13b / 0.3 % / 6.1 / [70] [HMIM][BF4] / [20] / 298-393 / 20b / 0.8-0.9 % / 1.1 / [16] [10] / 268.58-356.18 / 18b / 0.03-0.05 % / 4.2 / [16] [10] / 268.58-356.17 / 18b / 0.01-0.1 % / 4.2 / [16] [39] / 283.15-368.15 / 11b / 0.2-0.3 % / 2.1 / [39] [52] / 298.15-338.15 / 5b / 0.1 % / 11.1 / [52] [75] / 283.15-333.15 / 6b / 0.03 % / 4.2 / [75] [71] / 288.15-328.15 / 5b / 0.3 % / 5.6 / [39] [1] / 298.15-338.15 / 9b / 2 % / 1.6 / [1] [68] / 298.15 / 1b / 0.03 % / 6.3 / [68] [C7MIM][BF4] / [70] / 283.18-364.4 / 17b / 0.2 % / 5.7 / [70]

Thomas M. Koller,*,A Corina Steininger,A Michael H. Rausch,A and Andreas P. Fröbaa

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