Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics and activity coefficients at infinite dilution for organic solutes in the ionic liquid 1-hexyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide

Ge, M.-L.[Ming-Lan], Zhang, Q.[Qin], Li, S.-N.[Sai-Nan], Li, Y.-J.[Yin-Juan], Zhang, X.-Z.[Xiu-Zhen], Mu, Z.[Zhao]
J. Chem. Thermodyn. 2016, 102, 303-309
ABSTRACT
Activity coefficients at infinite dilution (c1 i ) and gas-liquid partition coefficients (KL) for organic solutes: n-alkanes, alkenes, alkyl benzenes, acetonitrile, acetone, tetrahydrofuran, ethyl acetate, and chloromethanes in the ionic liquid (IL) 1-hexyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide ([HMMIM][NTf2]) have been measured by the gas-liquid chromatographic method (GLC) in the temperature range of (313.15 353.15) K. The thermodynamic functions at infinite dilution as partial molar excess enthalpies at infinite dilution (HE;1 i ) were derived from the temperature dependence of the c1 i values. Gibbs energies (GE;1 i ) and entropies (Tref SE;1 i ) of organic solutes in [HMMIM][NTf2] at a reference temperature Tref = 298.15 K were also calculated from the c1 i values. The solubility parameters of the IL [HMMIM][NTf2] were determined by two methods. Selectivity (S1 ij ) and capacity (k1 j ) at infinite dilution at 323.15 K have been determined for n-hexane (i)/benzene (j), cyclohexane (i)/benzene (j). The results were analyzed in comparison to literature data for alkylimidazolium-based ILs with [NTf2] . For three isomeric xylenes separation problems, selectivity at 323.15 K were also obtained from the c1 i values.
Compounds
# Formula Name
1 C13H21F6N3O4S2 1-hexyl-2,3-dimethylimidazolium bis[(trifluoromethyl)sulfonyl]imide
2 C5H12 pentane
3 C6H14 hexane
4 C7H16 heptane
5 C8H18 octane
6 C9H20 nonane
7 C10H22 decane
8 C6H12 cyclohexane
9 C7H14 methylcyclohexane
10 C6H10 cyclohexene
11 C6H6 benzene
12 C7H8 toluene
13 C8H10 ethylbenzene
14 C8H10 1,2-dimethylbenzene
15 C8H10 1,3-dimethylbenzene
16 C8H10 1,4-dimethylbenzene
17 C2H3N acetonitrile
18 C3H6O acetone
19 C4H8O tetrahydrofuran
20 C4H8O2 ethyl acetate
21 CH2Cl2 dichloromethane
22 CHCl3 trichloromethane
23 CCl4 tetrachloromethane
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