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

High-Pressure Densities and Derived Thermodynamic Properties of Imidazolium-Based Ionic Liquids

Gardas, R. L.[Ramesh L.], Freire, M. G.[Mara G.], Carvalho, P. J.[Pedro J.], Marrucho, I. M.[Isabel M.], Fonseca, I. M. A.[Isabel M. A.], Ferreira, A. G. M.[Abel G. M.], Coutinho, J. A. P.[Joao A. P.]
J. Chem. Eng. Data 2007, 52, 1, 80-88
ABSTRACT
This work addresses the experimental measurements of the pressure (0.10 less than p/MPa less than 10.0) and temperature (293.15 less than T/K less than 393.15) dependence of the density and derived thermodynamic properties, such as the isothermal compressibility, the isobaric expansivity, the thermal pressure coefficient, and the pressure dependence of the heat capacity of several imidazolium-based ionic liquids (ILs), namely, 1-butyl-3-methylimidazolium tetrafluoroborate, [bmim][BF4]; 3-methyl-1-octylimidazolium tetrafluoroborate, [omim][BF4]; 1-hexyl-3-methylimidazolium hexafluorophosphate, [hmim][PF6]; 3-methyl-1-octylimidazolium hexafluorophosphate, [omim][PF6]; 1-butyl- 2,3-dimethylimidazolium hexafluorophosphate, [bmmim][PF6]; and 1-butyl-3-methylimidazolium trifluoromethansulfonate, [bmim][CF3SO3]. These ILs were chosen to provide an understanding of the influence of the cation alkyl chain length, the number of cation substitutions, and the anion influence on the properties under study. The influence of water content in the density was also studied for the most hydrophobic IL used, [omim]- [PF6]. A simple ideal-volume model was employed for the prediction of the imidazolium molar volumes at ambient conditions, which proved to agree well with the experimental results.
Compounds
# Formula Name
1 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
2 C12H23BF4N2 1-methyl-3-octylimidazolium tetrafluoroborate
3 C10H19F6N2P 1-hexyl-3-methylimidazolium hexafluorophosphate
4 C12H23F6N2P 1-octyl-3-methylimidazolium hexafluorophosphate
5 C9H17F6N2P 1-butyl-2,3-dimethylimidazolium hexafluorophosphate
6 C9H15F3N2O3S 1-butyl-3-methylimidazolium trifluoromethanesulfonate
7 H2O water
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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:12
  • 77
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 77
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:12
  • 77
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:12
  • 77
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:12
  • 63
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 77
  • POMD
  • 7
  • 4
  • Mass fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • Karl Fischer titration
  • 1
  • POMD
  • 7
  • 4
  • Mass density, kg/m3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • VIBTUB:UFactor:12
  • 70