Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide

Domanska, U.[Urszula], Lukoshko, E. V.[Elena Vadimovna]
J. Chem. Thermodyn. 2013, 66, 144-150
ABSTRACT
The activity coefficients at infinite dilution, c1 13, for 62 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, water, thiophene, ethers, ketones, acetonitrile, pyridine and 1-nitropropane in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide, [BMPYR][TCM] were determined by gas liquid chromatography at six temperatures over the range of (318.15 to 368.15) K. The partial molar excess Gibbs free energy, DGE 11, enthalpy DHE 11, and entropy term TrefDSE 1;1at infinite dilution were calculated from the experimental c1 13 values obtained over the temperature range. The densities of [BMPYR][TCM] were measured within temperature range from 318.15 K to 368.15 K. The gas liquid partition coefficients, KL were calculated for all solutes. The values of selectivity for few separation problems as hexane/benzene, cyclohexane/benzene, heptane/thiophene were calculated from c1 13 and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, and other ionic liquids based on [BMPYR]+ cation. In comparison with the former measured ILs, [BMPYR][TCM] present quite high selectivity for the separation of aromatic hydrocarbons and aliphatics hydrocarbons, an average capacity for benzene. The data presented here shows that [BMPYR][TCM] ionic liquid can be used as an alternative solvent for the separation of thiophene from the aliphatic hydrocarbons.
Compounds
# Formula Name
1 C13H20N4 1-butyl-1-methylpyrrolidinium tricyanomethanide
2 C5H12 pentane
3 C6H14 hexane
4 C6H14 3-methylpentane
5 C6H14 2,2-dimethylbutane
6 C7H16 heptane
7 C8H18 octane
8 C8H18 2,2,4-trimethylpentane
9 C9H20 nonane
10 C10H22 decane
11 C5H10 cyclopentane
12 C6H12 cyclohexane
13 C7H14 methylcyclohexane
14 C7H14 cycloheptane
15 C8H16 cyclooctane
16 C5H10 1-pentene
17 C6H12 hex-1-ene
18 C6H10 cyclohexene
19 C7H14 1-heptene
20 C8H16 oct-1-ene
21 C10H20 1-decene
22 C5H8 1-pentyne
23 C6H10 1-hexyne
24 C7H12 1-heptyne
25 C8H14 1-octyne
26 C6H6 benzene
27 C7H8 toluene
28 C8H10 ethylbenzene
29 C8H10 1,2-dimethylbenzene
30 C8H10 1,3-dimethylbenzene
31 C8H10 1,4-dimethylbenzene
32 C8H8 styrene
33 C9H10 (1-methylethenyl)benzene
34 CH4O methanol
35 C2H6O ethanol
36 C3H8O propan-1-ol
37 C3H8O propan-2-ol
38 C4H10O butan-1-ol
39 C4H10O butan-2-ol
40 C4H10O 2-methyl-1-propanol
41 C4H10O 2-methylpropan-2-ol
42 H2O water
43 C4H4S thiophene
44 C4H8O tetrahydrofuran
45 C4H8O2 1,4-dioxane
46 C5H12O 2-methoxy-2-methylpropane
47 C6H14O 2-methoxy-2-methylbutane
48 C6H14O 2-ethoxy-2-methylpropane
49 C4H10O diethyl ether
50 C6H14O dipropyl ether
51 C6H14O diisopropyl ether
52 C8H18O dibutyl ether
53 C3H6O acetone
54 C5H10O pentan-2-one
55 C5H10O pentan-3-one
56 C3H6O2 methyl ethanoate
57 C4H8O2 ethyl acetate
58 C4H8O2 methyl propanoate
59 C5H10O2 methyl butanoate
60 C4H8O butanal
61 C2H3N acetonitrile
62 C5H5N pyridine
63 C3H7NO2 1-nitropropane
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
  • 6
  • 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
  • 6
  • 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
  • 5
  • 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
  • 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
  • 5