Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Physical properties of 3-methyl-N-butylpyridinium tetracyanoborate and 1-butyl-1-methylpyrrolidinium tetracyanoborate and ternary LLE data of [3-mebupy]B(CN)4 with an aromatic and an aliphatic hydrocarbon at T = 303.2 K and 328.2 K and p = 0.1 MPa

Meindersma, G. W., Simons, B. T. J.[Bart T.J.], de Haan, A. B.[Andre B.]
J. Chem. Thermodyn. 2011, 43, 11, 1628-1640
ABSTRACT
Several physical properties were determined for the ionic liquids 3-methyl-N-butylpyridinium tetracyanoborate ([3-mebupy]B(CN)4) and 1-butyl-1-methylpyrrolidinium tetracyanoborate ([1-mebupyr]B(CN)4), viz. liquid density, viscosity, surface tension, thermal stability, and heat capacity over the temperature range from 283.2 K to 475.2 K and at 0.1 MPa. The density and the surface tension were well correlated with linear equations and the viscosity with a Vogel-Fulcher-Tamman equation. The IL [3-mebupy]B(CN)4 is stable up to a temperature of 480 K and the IL [1-mebupyr]B(CN)4 up to a temperature of 548 K. Ternary data for the systems {(benzene + n-hexane), or (toluene + n-heptane), or (p-xylene + n-octane + [3-mebupy]B(CN)4)} were determined at T = 303.2 K and 328.2 K and p = 0.1 MPa. All experimental data were well correlated with the NRTL model. The values of the experimental and calculated aromatic/aliphatic selectivity are in good agreement with each other. The LLE data of [1-mebupyr]B(CN)4 were only measured in a 10 vol% aromatic feed for the three systems.
Compounds
# Formula Name
1 C6H6 benzene
2 C8H18 octane
3 C6H14 hexane
4 C7H16 heptane
5 C8H10 1,4-dimethylbenzene
6 C7H8 toluene
7 C13H20BN5 1-butyl-1-methylpyrrolidinium tetracyanoborate
8 C14H16BN5 1-butyl-3-methylpyridinium tetracyanoborate
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
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 2
  • POMD
  • 8
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 2
  • POMD
  • 1
  • 3
  • 8
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 30
  • POMD
  • 6
  • 4
  • 8
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 6 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 27
  • POMD
  • 5
  • 2
  • 8
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 29