Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate using GLC

Domanska-Zelazna, U.[Urzula], Redhi, G. G.[Gan G.], Marciniak, A.[Andrzej]
Fluid Phase Equilib. 2009, 278, 1-2, 97-102
ABSTRACT
Activity coefficients at infinite dilution, 13, for 32 organic compounds: alkanes, alk-1-enes, alk-1-ynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, tert-butyl methyl ether and water in the ionic liquid 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate [BMPYR][CF3SO3] were determined by gas.liquid chromatography at the temperatures ranging from 298.15 to 368.15 K. The partial molar excess enthalpies at infinite dilution HE, 1 were calculated from the experimental 13 values obtained over the temperature range. The selectivities for the n-hexane/benzene, cyclohexane/benzene, n-hexane/thiophene, cyclohexane/thiophene, benzene/thiophene and hexen-1- ene/n-hexane separation problems were calculated from the 13 and compared to the literature values for other ionic liquids, NMP and sulfolane.
Compounds
# Formula Name
1 C5H12 pentane
2 C10H20F3NO3S 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate
3 C6H14 hexane
4 C7H16 heptane
5 C8H18 octane
6 C9H20 nonane
7 C10H22 decane
8 C5H10 cyclopentane
9 C6H12 cyclohexane
10 C7H14 cycloheptane
11 C8H16 cyclooctane
12 C5H10 1-pentene
13 C7H14 1-heptene
14 C8H16 oct-1-ene
15 C5H8 1-pentyne
16 C6H10 1-hexyne
17 C7H12 1-heptyne
18 C8H14 1-octyne
19 C6H6 benzene
20 C7H8 toluene
21 C8H10 1,2-dimethylbenzene
22 C8H10 1,3-dimethylbenzene
23 C8H10 1,4-dimethylbenzene
24 CH4O methanol
25 C2H6O ethanol
26 H2O water
27 C3H8O propan-1-ol
28 C4H10O butan-1-ol
29 C4H8O tetrahydrofuran
30 C4H4S thiophene
31 C5H12O 2-methoxy-2-methylpropane
32 C6H12 hex-1-ene
33 C8H10 ethylbenzene
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
  • 2
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 3
  • 2
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 4
  • 2
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 5
  • 2
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 6
  • 2
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 7
  • 2
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 8
  • 2
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 9
  • 2
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 10
  • 2
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 11
  • 2
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 12
  • 2
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 13
  • 2
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 14
  • 2
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 15
  • 2
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 16
  • 2
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 17
  • 2
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 18
  • 2
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 19
  • 2
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 20
  • 2
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 21
  • 2
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 22
  • 2
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 23
  • 2
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 24
  • 2
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 25
  • 2
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 26
  • 2
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 27
  • 2
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 28
  • 2
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 29
  • 2
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 30
  • 2
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 31
  • 2
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 32
  • 2
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 33
  • 2
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8