Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)- 3-methylimidazolium trifluorotris(perfluoroethyl)phosphate

Marciniak, A.[Andrzej], Wlazlo, M.[Michal]
J. Chem. Thermodyn. 2013, 64, 114-119
ABSTRACT
This work presents new data of activity coefficients at infinite dilution, c1 of different organic solutes and water in the 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, [C2OHmim][FAP] ionic liquid. Values of c1 were determined for 65 organic solutes, including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, aldehydes, acetonitrile and water by inverse gas chromatography within the temperature range from (318.15 to 368.15) K. The basic thermodynamic functions, such as partial molar excess Gibbs energies, DGE;1 1 , enthalpies, DHE;1 1 and entropies, DSE;1 1 at infinite dilution were calculated from the experimental c1 values obtained over the temperature range. Additionally the gas liquid partition coefficients, KL were determined. Experimental values of gas liquid partition coefficients were used to determine the coefficients in the Abraham solvation parameter model (LFER). Results are compared to previously investigated ionic liquids with the same [C2OHmim]+ cation and [FAP] anion. The selectivity and capacity at infinite dilution for alkanes/thiophene extraction problems were calculated from experimental c1 values to verify the possibility of investigated ionic liquid as an entrainer in liquid liquid extraction.
Compounds
# Formula Name
1 C5H12 pentane
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 C4H4S thiophene
34 C5H5N pyridine
35 CH4O methanol
36 C2H6O ethanol
37 C3H8O propan-1-ol
38 C3H8O propan-2-ol
39 C4H10O butan-1-ol
40 C4H10O butan-2-ol
41 C4H10O 2-methyl-1-propanol
42 C4H10O 2-methylpropan-2-ol
43 C5H12O pentan-1-ol
44 H2O water
45 C3H6O2 methyl ethanoate
46 C4H8O2 methyl propanoate
47 C5H10O2 methyl butanoate
48 C4H8O2 ethyl acetate
49 C4H6O2 vinyl acetate
50 C4H8O tetrahydrofuran
51 C4H8O2 1,4-dioxane
52 C5H12O 2-methoxy-2-methylpropane
53 C6H14O 2-ethoxy-2-methylpropane
54 C6H14O 2-methoxy-2-methylbutane
55 C4H10O diethyl ether
56 C6H14O dipropyl ether
57 C6H14O diisopropyl ether
58 C8H18O dibutyl ether
59 C3H6O acetone
60 C5H10O pentan-2-one
61 C5H10O pentan-3-one
62 C3H6O propanal
63 C4H8O butanal
64 C2H3N acetonitrile
65 C3H7NO2 1-nitropropane
66 C12H11F18N2OP 3-(2-hydroxyethyl)-1-methyl-1H-imidazolium trifluorotris(perfluoroethyl)phosphate(V)
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
  • 66
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 8
  • POMD
  • 1
  • 66
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 66
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 3
  • 66
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 4
  • 66
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 5
  • 66
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 6
  • 66
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 7
  • 66
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 8
  • 66
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 9
  • 66
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 10
  • 66
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 11
  • 66
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 12
  • 66
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 13
  • 66
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 14
  • 66
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 15
  • 66
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 16
  • 66
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 17
  • 66
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 18
  • 66
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 19
  • 66
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 20
  • 66
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 21
  • 66
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 22
  • 66
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 23
  • 66
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 24
  • 66
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 25
  • 66
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 26
  • 66
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 27
  • 66
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 28
  • 66
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 29
  • 66
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 30
  • 66
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 31
  • 66
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 32
  • 66
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 33
  • 66
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 34
  • 66
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 34; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 35
  • 66
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 35; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 36
  • 66
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 36; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 37
  • 66
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 37; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 38
  • 66
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 38; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 39
  • 66
  • Activity coefficient - 39 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 39; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 40
  • 66
  • Activity coefficient - 40 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 40; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 41
  • 66
  • Activity coefficient - 41 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 41; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 42
  • 66
  • Activity coefficient - 42 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 42; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 43
  • 66
  • Activity coefficient - 43 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 43; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 44
  • 66
  • Activity coefficient - 44 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 44; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 45
  • 66
  • Activity coefficient - 45 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 45; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 46
  • 66
  • Activity coefficient - 46 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 46; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 47
  • 66
  • Activity coefficient - 47 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 47; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 48
  • 66
  • Activity coefficient - 48 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 48; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 49
  • 66
  • Activity coefficient - 49 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 49; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 50
  • 66
  • Activity coefficient - 50 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 50; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 51
  • 66
  • Activity coefficient - 51 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 51; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 52
  • 66
  • Activity coefficient - 52 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 52; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 53
  • 66
  • Activity coefficient - 53 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 53; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 54
  • 66
  • Activity coefficient - 54 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 54; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 55
  • 66
  • Activity coefficient - 55 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 55; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 57
  • 66
  • Activity coefficient - 57 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 57; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 58
  • 66
  • Activity coefficient - 58 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 58; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 56
  • 66
  • Activity coefficient - 56 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 56; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 59
  • 66
  • Activity coefficient - 59 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 59; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 60
  • 66
  • Activity coefficient - 60 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 60; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 61
  • 66
  • Activity coefficient - 61 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 61; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 62
  • 66
  • Activity coefficient - 62 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 62; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 63
  • 66
  • Activity coefficient - 63 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 63; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 64
  • 66
  • Activity coefficient - 64 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 64; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 65
  • 66
  • Activity coefficient - 65 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 65; Liquid
  • Liquid
  • Chromatography
  • 6