Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Thermodynamic Properties of Mixtures Containing Ionic Liquids. 9. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in Trimethyl-butylammonium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography and Static Method

Heintz, A.[Andreas], Vasiltsova, T. V.[Tatiana V.], Safarov, J.[Javid], Bich, E.[Eckard], Verevkin, S. P.[Sergey P.]
J. Chem. Eng. Data 2006, 51, 2, 648-655
ABSTRACT
Activity coefficients at infinite dilution ci yen of solutes such as alkanes, alkenes, and alkylbenzenes as well as of the linear and branched C1-C6 alcohols, esters, and aldehydes in the ionic liquids trimethyl-butylammonium bis(trifluoromethylsulfonyl) imide [Me3BuN][NTf2] have been determined by gas chromatography using the ionic liquids as stationary phase. The measurements were carried out at different temperatures between 302 K and 393 K. From the temperature dependence of the limiting activity coefficients, partial molar excess enthalpies at infinite dilution Hi E,yen of the solutes in the ionic liquids have been derived. Vapor-liquid equilibria (VLE) of binary mixtures containing methanol, ethanol, and propan-1-ol in [Me3BuN][NTf2] were studied by using a static method. VLE measurements were carried out covering the whole concentration range at four different temperatures between 298.15 K and 313.15 K. Activity coefficients ci of solutes in the ionic liquid and their osmotic coefficients ?i in the [Me3BuN][NTf2] have been determined from the VLE data and are described formally by using the NRTL equation. ci yen and Hi E,yen for methanol, ethanol, and propan-1-ol in [Me3BuN][NTf2] are derived from the both the GC and the static method.
Compounds
# Formula Name
1 C4H8O butanal
2 C5H10O pentanal
3 C6H12O hexanal
4 C7H14O heptanal
5 C8H16O octanal
6 C4H8O2 methyl propanoate
7 C5H10O2 methyl butanoate
8 C6H12O2 methyl pentanoate
9 C7H14O2 methyl hexanoate
10 C8H16O2 methyl heptanoate
11 C3H6O acetone
12 C2H3N acetonitrile
13 C4H8O2 1,4-dioxane
14 CHCl3 trichloromethane
15 C5H9NO N-methylpyrrolidone
16 C9H18F6N2O4S2 butyltrimethylammonium bis(trifluoromethylsulfonyl)imide
17 C5H12 pentane
18 C6H14 hexane
19 C7H16 heptane
20 C8H18 octane
21 C9H20 nonane
22 C10H22 decane
23 C11H24 undecane
24 C12H26 dodecane
25 C5H10 1-pentene
26 C6H12 hex-1-ene
27 C6H14O hexan-1-ol
28 C7H14 1-heptene
29 C8H16 oct-1-ene
30 C9H18 1-nonene
31 C10H20 1-decene
32 C7H16O heptan-1-ol
33 C11H22 1-undecene
34 C12H24 1-dodecene
35 C6H12 cyclohexane
36 C3H8O propan-2-ol
37 C4H10O 2-methyl-1-propanol
38 C6H10 cyclohexene
39 C4H10O butan-2-ol
40 C6H8 1,3-cyclohexadiene
41 CH4O methanol
42 C4H10O 2-methylpropan-2-ol
43 C6H12O cyclohexanol
44 C2H6O ethanol
45 C6H6 benzene
46 C7H8 toluene
47 C3H8O propan-1-ol
48 C4H10O butan-1-ol
49 C8H10 ethylbenzene
50 C9H12 propylbenzene
51 C10H14 butylbenzene
52 C11H16 pentylbenzene
53 C3H6O propanal
54 C5H12O pentan-1-ol
55 C3H7NO dimethylformamide
56 C5H12O 2-methylbutan-2-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
  • 7
  • 16
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 3
  • POMD
  • 9
  • 16
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 10
  • 16
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 11
  • 16
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 3
  • POMD
  • 12
  • 16
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 14
  • 16
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 3
  • POMD
  • 15
  • 16
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 55
  • 16
  • Activity coefficient - 55 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 55; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 56
  • 16
  • Activity coefficient - 56 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 56; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 13
  • 16
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 17
  • 16
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 18
  • 16
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 19
  • 16
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 20
  • 16
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 21
  • 16
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 22
  • 16
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 23
  • 16
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 24
  • 16
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 3
  • POMD
  • 25
  • 16
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 26
  • 16
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 28
  • 16
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 29
  • 16
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 30
  • 16
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 31
  • 16
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 33
  • 16
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 34
  • 16
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 34; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 35
  • 16
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 35; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 38
  • 16
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 38; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 40
  • 16
  • Activity coefficient - 40 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 40; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 41
  • 16
  • Activity coefficient - 41 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 41; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 41
  • 16
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 41; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 68
  • POMD
  • 44
  • 16
  • Activity coefficient - 44 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 44; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 44
  • 16
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 44; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 68
  • POMD
  • 47
  • 16
  • Activity coefficient - 47 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 47; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 47
  • 16
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 47; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 80
  • POMD
  • 48
  • 16
  • Activity coefficient - 48 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 48; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 8
  • 16
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 54
  • 16
  • Activity coefficient - 54 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 54; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 27
  • 16
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 32
  • 16
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 36
  • 16
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 36; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 37
  • 16
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 37; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 39
  • 16
  • Activity coefficient - 39 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 39; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 42
  • 16
  • Activity coefficient - 42 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 42; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 43
  • 16
  • Activity coefficient - 43 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 43; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 45
  • 16
  • Activity coefficient - 45 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 45; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 46
  • 16
  • Activity coefficient - 46 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 46; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 49
  • 16
  • Activity coefficient - 49 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 49; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 50
  • 16
  • Activity coefficient - 50 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 50; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 51
  • 16
  • Activity coefficient - 51 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 51; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 52
  • 16
  • Activity coefficient - 52 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 52; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 53
  • 16
  • Activity coefficient - 53 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 53; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 1
  • 16
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 2
  • 16
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 3
  • 16
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 4
  • 16
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 5
  • 16
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 6
  • 16
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 3