Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics and activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tetracyanoborate

Domanska, U.[Urszula], Krolikowski, M.[Marek], Acree, Jr., W. E.[William E.]
J. Chem. Thermodyn. 2011, 43, 12, 1810-1817
ABSTRACT
The activity coefficients at infinite dilution, c1 13, for 45 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, ethers, acetone, and water, in the ionic liquid 1-butyl-1-methylpyrrolidinium tetracyanoborate, [BMPYR][TCB], were determined by gas liquid chromatography at temperatures from 318.15 K to 368.15 K. The values of the partial molar excess Gibbs free energy DGE;1 1 , enthalpy DHE;1 1 , and entropy DSE;1 1 at infinite dilution were calculated from the experimental c1 13 values obtained over the temperature range. The gas liquid partition coefficients, KL were calculated for all solutes and the Abraham solvation parameter model was discussed. The values of the selectivity for different separation problems were calculated from c1 13 and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, 1-ethyl-3-methylimidazolium tetracyanoborate, [EMIM][TCB], 1-decyl-3-methylimidazolium tetracyanoborate, [DMIM][TCB], and similar ionic liquids. The densities of [BMPYR][TCB] in temperatures range from 318.15 K to 368.15 K, the temperature of fusion and the enthalpy of fusion were measured.
Compounds
# Formula Name
1 C5H12 pentane
2 C6H14 hexane
3 C6H14 3-methylpentane
4 C6H14 2,2-dimethylbutane
5 C7H16 heptane
6 C8H18 octane
7 C8H18 2,2,4-trimethylpentane
8 C9H20 nonane
9 C10H22 decane
10 C5H10 cyclopentane
11 C6H12 cyclohexane
12 C7H14 methylcyclohexane
13 C7H14 cycloheptane
14 C8H16 cyclooctane
15 C5H10 1-pentene
16 C6H12 hex-1-ene
17 C8H16 oct-1-ene
18 C10H20 1-decene
19 C6H10 1-hexyne
20 C7H12 1-heptyne
21 C8H14 1-octyne
22 C6H6 benzene
23 C7H8 toluene
24 C8H10 ethylbenzene
25 C8H10 1,2-dimethylbenzene
26 C8H10 1,3-dimethylbenzene
27 C8H10 1,4-dimethylbenzene
28 CH4O methanol
29 C2H6O ethanol
30 C3H8O propan-1-ol
31 C4H10O butan-1-ol
32 H2O water
33 C4H4S thiophene
34 C4H8O tetrahydrofuran
35 C5H12O 2-methoxy-2-methylpropane
36 C6H14O 2-methoxy-2-methylbutane
37 C4H10O diethyl ether
38 C6H14O dipropyl ether
39 C6H14O diisopropyl ether
40 C8H18O dibutyl ether
41 C3H6O acetone
42 C5H10O pentan-2-one
43 C5H10O pentan-3-one
44 C13H20BN5 1-butyl-1-methylpyrrolidinium tetracyanoborate
45 C6H10 cyclohexene
46 C7H14 1-heptene
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
  • 44
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 44
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 44
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 1
  • 44
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 44
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 3
  • 44
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 4
  • 44
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 5
  • 44
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 6
  • 44
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 7
  • 44
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 8
  • 44
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 9
  • 44
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 10
  • 44
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 11
  • 44
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 12
  • 44
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 13
  • 44
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 14
  • 44
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 15
  • 44
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 16
  • 44
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 17
  • 44
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 18
  • 44
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 19
  • 44
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 20
  • 44
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 21
  • 44
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 22
  • 44
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 23
  • 44
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 24
  • 44
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 25
  • 44
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 26
  • 44
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 27
  • 44
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 28
  • 44
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 29
  • 44
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 30
  • 44
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 31
  • 44
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 32
  • 44
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 33
  • 44
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 34
  • 44
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 34; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 35
  • 44
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 35; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 36
  • 44
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 36; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 37
  • 44
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 37; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 38
  • 44
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 38; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 39
  • 44
  • Activity coefficient - 39 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 39; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 40
  • 44
  • Activity coefficient - 40 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 40; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 41
  • 44
  • Activity coefficient - 41 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 41; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 42
  • 44
  • Activity coefficient - 42 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 42; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 43
  • 44
  • Activity coefficient - 43 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 43; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 45
  • 44
  • Activity coefficient - 45 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 45; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 46
  • 44
  • Activity coefficient - 46 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 46; Liquid
  • Liquid
  • Chromatography
  • 6