Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurements of activity coefficients at infinite dilution of organic compounds and water in isoquinolinium-based ionic liquid [C8iQuin][NTf2] using GLC

Domanska, U.[Urszula], Zawadzki, M.[Maciej], Krolikowska, M.[Marta], Tshibangu, M. M., Ramjugernath, D.[Deresh], Letcher, T. M.[Trevor M.]
J. Chem. Thermodyn. 2011, 43, 3, 499-504
ABSTRACT
New isoquinolinium ionic liquid has been synthesized from N-octylisoquinolinium bromide as a substrate. The specific basic characterization of the new compound by NMR spectra, elementary analysis and water content is presented. The activity coefficients at infinite dilution, for 37 solutes viz. alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, ethers, ketones, and water in the ionic liquid N-octylisoquinolinium bis{(trifluoromethyl)sulfonyl}imide [C8iQuin][NTf2], were determined by gas liquid chromatography at the temperatures from (328.15 to 368.15) K. The partial molar excess enthalpies at infinite dilution values were calculated from the experimental activity coefficients at infinite dilution, obtained over the temperature range. The selectivity for the n-hexane/benzene, cyclohexane/benzene and n-heptane/thiophene separation problems were calculated from the activity coefficients at infinite dilution and compared to the other ionic liquids with bis{(trifluoromethyl)sulfonyl}imide anion, NMP and sulfolane, taken from the recent literature. The chosen ionic liquid demonstrates that it is possible to separate different organic compounds with the average selectivity and capacity.
Compounds
# Formula Name
1 C19H24F6N2O4S2 2-octylisoquinolinium bis((trifluoromethyl)sulfonyl)amide
2 C6H14 hexane
3 C7H16 heptane
4 C8H18 octane
5 C9H20 nonane
6 C10H22 decane
7 C5H10 cyclopentane
8 C6H12 cyclohexane
9 C7H14 cycloheptane
10 C8H16 cyclooctane
11 C5H10 1-pentene
12 C6H12 hex-1-ene
13 C7H14 1-heptene
14 C8H16 oct-1-ene
15 C6H10 1-hexyne
16 C7H12 1-heptyne
17 C8H14 1-octyne
18 C6H6 benzene
19 C7H8 toluene
20 C8H10 ethylbenzene
21 C8H10 1,2-dimethylbenzene
22 C8H10 1,3-dimethylbenzene
23 C8H10 1,4-dimethylbenzene
24 CH4O methanol
25 C2H6O ethanol
26 C3H8O propan-1-ol
27 C4H10O butan-1-ol
28 H2O water
29 C4H4S thiophene
30 C4H8O tetrahydrofuran
31 C5H12O 2-methoxy-2-methylpropane
32 C4H10O diethyl ether
33 C6H14O dipropyl ether
34 C8H18O dibutyl ether
35 C3H6O acetone
36 C5H10O pentan-2-one
37 C5H10O pentan-3-one
38 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
  • 2
  • 1
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 8
  • 1
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 9
  • 1
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 10
  • 1
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 11
  • 1
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 12
  • 1
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 13
  • 1
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 13; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 14
  • 1
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 14; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 15
  • 1
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 15; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 16
  • 1
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 16; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 17
  • 1
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 17; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 18
  • 1
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 18; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 19
  • 1
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 19; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 20
  • 1
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 20; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 21
  • 1
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 21; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 22
  • 1
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 22; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 23
  • 1
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 23; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 24
  • 1
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 24; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 25
  • 1
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 25; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 26
  • 1
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 26; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 27
  • 1
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 27; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 28
  • 1
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 28; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 29
  • 1
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 29; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 30
  • 1
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 30; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 31
  • 1
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 31; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 32
  • 1
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 32; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 33
  • 1
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 33; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 34
  • 1
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 34; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 35
  • 1
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 35; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 36
  • 1
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 36; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 37
  • 1
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 37; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 38
  • 1
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 38; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5