Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide

Domanska, U.[Urszula], Papis, P.[Paulina], Szydlowski, J.[Jerzy]
J. Chem. Thermodyn. 2014, 77, 63-70
ABSTRACT
The activity coefficients at infinite dilution, c1 13, for 63 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, water, thiophene, ethers, ketones, esters, aldehyde, acetonitrile, pyridine and 1-nitropropane and 6 diols in the ionic liquid (IL) choline bis(trifluoromethylsulfonyl) imide, [N1112OH][NTf2] were determined by (gas + liquid) chromatography at six temperatures in range of (318.15 to 368.15) K and at three temperatures for diols in the range of (388.15 to 418.15) K. The thermodynamic functions at infinite dilution as partial molar excess Gibbs free energy, DGE;1 1 , enthalpy DHE;1 1 , and entropy term TrefDSE;1 1 were calculated from the experimental c1 13 values obtained over the temperature range. The density of [N1112OH][NTf2] was measured within temperature range (313.15 to 353.15) K. The (gas + liquid) partition coefficient KL was calculated for all solutes. The values of selectivity and capacity for a few separation problems as hexane/benzene, cyclohexane/benzene, heptane/ thiophene at T = 328.15 K were calculated from c1 13 and compared to literature values for similar ionic liquids, N-methyl-2-pyrrolidinone (NMP), and sulfolane. In comparison with the former measured ammonium-based ILs and the morpholinium-based ILs, the [N1112OH][NTf2] shows average selectivity for the separation of aromatic hydrocarbons, or sulfur compound from aliphatic hydrocarbons, and very high selectivity for pyridine/heptane separation. New data show that [N1112OH][NTf2] IL may be proposed as an alternative solvent for the separation of sulfur or nitrogen compounds from alkanes.
Compounds
# Formula Name
1 C7H14F6N2O5S2 choline bis(trifluoromethylsulfonyl)imide
2 C6H14 hexane
3 C6H14 3-methylpentane
4 C6H14 2,2-dimethylbutane
5 C7H16 heptane
6 C8H18 octane
7 C8H18 2,2,4-trimethylpentane
8 C9H20 nonane
9 C10H22 decane
10 C5H10 cyclopentane
11 C6H12 cyclohexane
12 C7H14 methylcyclohexane
13 C7H14 cycloheptane
14 C8H16 cyclooctane
15 C5H10 1-pentene
16 C6H12 hex-1-ene
17 C6H10 cyclohexene
18 C7H14 1-heptene
19 C8H16 oct-1-ene
20 C10H20 1-decene
21 C5H8 1-pentyne
22 C6H10 1-hexyne
23 C7H12 1-heptyne
24 C8H14 1-octyne
25 C6H6 benzene
26 C7H8 toluene
27 C8H10 ethylbenzene
28 C8H10 1,2-dimethylbenzene
29 C8H10 1,3-dimethylbenzene
30 C8H10 1,4-dimethylbenzene
31 C8H8 styrene
32 C9H10 (1-methylethenyl)benzene
33 CH4O methanol
34 C2H6O ethanol
35 C3H8O propan-1-ol
36 C3H8O propan-2-ol
37 C4H10O butan-1-ol
38 C4H10O butan-2-ol
39 C4H10O 2-methyl-1-propanol
40 C4H10O 2-methylpropan-2-ol
41 H2O water
42 C4H4S thiophene
43 C4H8O tetrahydrofuran
44 C4H8O2 1,4-dioxane
45 C6H14O 2-ethoxy-2-methylpropane
46 C5H12O 2-methoxy-2-methylpropane
47 C6H14O 2-methoxy-2-methylbutane
48 C4H10O diethyl ether
49 C6H14O dipropyl ether
50 C6H14O diisopropyl ether
51 C8H18O dibutyl ether
52 C3H6O acetone
53 C5H10O pentan-2-one
54 C5H10O pentan-3-one
55 C3H6O2 methyl ethanoate
56 C4H8O2 ethyl acetate
57 C4H8O2 methyl propanoate
58 C5H10O2 methyl butanoate
59 C4H6O2 vinyl acetate
60 C4H8O butanal
61 C2H3N acetonitrile
62 C5H5N pyridine
63 C3H7NO2 1-nitropropane
64 C2H6O2 1,2-ethanediol
65 C3H8O2 1,2-propanediol
66 C3H8O2 propan-1,3-diol
67 C4H10O2 1,2-butanediol
68 C4H10O2 2,3-butanediol
69 C5H12O2 1,5-pentanediol
70 C5H12O pentan-1-ol
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 2
  • 1
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 8
  • 1
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 9
  • 1
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 10
  • 1
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 11
  • 1
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 12
  • 1
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 13
  • 1
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 14
  • 1
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 15
  • 1
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 16
  • 1
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 17
  • 1
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 18
  • 1
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 19
  • 1
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 20
  • 1
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 21
  • 1
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 22
  • 1
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 23
  • 1
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 24
  • 1
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 25
  • 1
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 26
  • 1
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 27
  • 1
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 28
  • 1
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 29
  • 1
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 30
  • 1
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 31
  • 1
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 32
  • 1
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 33
  • 1
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 34
  • 1
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 34; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 35
  • 1
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 35; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 36
  • 1
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 36; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 37
  • 1
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 37; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 38
  • 1
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 38; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 39
  • 1
  • Activity coefficient - 39 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 39; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 40
  • 1
  • Activity coefficient - 40 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 40; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 70
  • 1
  • Activity coefficient - 70 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 70; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 41
  • 1
  • Activity coefficient - 41 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 41; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 42
  • 1
  • Activity coefficient - 42 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 42; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 43
  • 1
  • Activity coefficient - 43 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 43; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 44
  • 1
  • Activity coefficient - 44 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 44; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 45
  • 1
  • Activity coefficient - 45 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 45; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 46
  • 1
  • Activity coefficient - 46 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 46; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 47
  • 1
  • Activity coefficient - 47 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 47; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 48
  • 1
  • Activity coefficient - 48 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 48; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 49
  • 1
  • Activity coefficient - 49 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 49; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 50
  • 1
  • Activity coefficient - 50 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 50; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 51
  • 1
  • Activity coefficient - 51 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 51; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 52
  • 1
  • Activity coefficient - 52 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 52; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 53
  • 1
  • Activity coefficient - 53 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 53; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 54
  • 1
  • Activity coefficient - 54 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 54; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 55
  • 1
  • Activity coefficient - 55 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 55; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 56
  • 1
  • Activity coefficient - 56 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 56; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 57
  • 1
  • Activity coefficient - 57 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 57; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 58
  • 1
  • Activity coefficient - 58 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 58; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 59
  • 1
  • Activity coefficient - 59 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 59; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 60
  • 1
  • Activity coefficient - 60 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 60; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 61
  • 1
  • Activity coefficient - 61 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 61; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 62
  • 1
  • Activity coefficient - 62 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 62; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 63
  • 1
  • Activity coefficient - 63 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 63; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 64
  • 1
  • Activity coefficient - 64 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 64; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 65
  • 1
  • Activity coefficient - 65 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 65; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 66
  • 1
  • Activity coefficient - 66 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 66; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 67
  • 1
  • Activity coefficient - 67 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 67; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 68
  • 1
  • Activity coefficient - 68 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 68; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 69
  • 1
  • Activity coefficient - 69 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 69; Liquid
  • Liquid
  • Chromatography
  • 3