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A Simple Prediction Method
for the Surface Tension of Ionic Liquids
as a Function of Temperature

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

a 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, Germany

Supplementary Material

Table 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]

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