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

Measurements of Activity Coefficients at Infinite Dilution for Organic Solutes and Water in the Ionic Liquid 1-Butyl-1-methylpiperydinium Thiocyanate

Domanska, U.[Urszula], Krolikowska, M.[Marta]
J. Chem. Eng. Data 2011, 56, 1, 124-129
ABSTRACT
The activity coefficients at infinite dilution (y13infiniti) for 33 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, and water in the ionic liquid, 1-butyl-1-methylpiperidinium thiocyanate ([BMPIP][SCN]), were determined by gas-liquid chromatography over the temperature range (318.15 to 358.15) K. The partial molar excess enthalpies at infinite dilution values (deltaH1E,infiniti) were calculated from the experimental y13infiniti values, obtained over the temperature range. The selectivities for heptane/benzene, cyclohexane/benzene, and heptane/thiophene separation problems were calculated from the y13infiniti and compared to the literature values for other ionic liquids with thiocyanate-based anion or with a butyl-methyl-substituted cation.
Compounds
# Formula Name
1 C11H22N2S 1-butyl-1-methylpiperidinium thiocyanate
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 C6H12 hex-1-ene
12 C7H14 1-heptene
13 C8H16 oct-1-ene
14 C6H10 1-hexyne
15 C7H12 1-heptyne
16 C8H14 1-octyne
17 C6H6 benzene
18 C7H8 toluene
19 C8H10 ethylbenzene
20 C8H10 1,2-dimethylbenzene
21 C8H10 1,3-dimethylbenzene
22 C8H10 1,4-dimethylbenzene
23 CH4O methanol
24 C2H6O ethanol
25 H2O water
26 C4H4S thiophene
27 C4H8O tetrahydrofuran
28 C5H12O 2-methoxy-2-methylpropane
29 C4H10O diethyl ether
30 C6H14O dipropyl ether
31 C8H18O dibutyl ether
32 C3H6O acetone
33 C5H10O pentan-2-one
34 C5H10O pentan-3-one
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
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 8
  • 1
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 9
  • 1
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 10
  • 1
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 11
  • 1
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 12
  • 1
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 13
  • 1
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 14
  • 1
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 15
  • 1
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 16
  • 1
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 17
  • 1
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 18
  • 1
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 19
  • 1
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 20
  • 1
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 21
  • 1
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 22
  • 1
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 23
  • 1
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 24
  • 1
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 25
  • 1
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 26
  • 1
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 27
  • 1
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 28
  • 1
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 29
  • 1
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 30
  • 1
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 31
  • 1
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 32
  • 1
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 33
  • 1
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 34
  • 1
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 34; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5