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

High-Pressure Volumetric Properties of Imidazolium-Based Ionic Liquids: Effect of the Anion

Jacquemin, J.[Johan], Husson, P.[Pascale], Mayer, V.[Vladimir], Cibulka, I.[Ivan]
J. Chem. Eng. Data 2007, 52, 6, 2204-2211
ABSTRACT
The densities of five imidazolium-based ionic liquids (ILs) (1-butyl-3-methylimidazolium tetrafluoroborate, [C1C4- Im][BF4]; 1-butyl-3-methylimidazolium hexafluorophosphate, [C1C4Im][PF6]; 1-butyl-3-methylimidazolium bis- {(trifluoromethyl)sulfonyl}imide, [C1C4Im][Tf2N]; 1-ethyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}- imide, [C1C2Im][Tf2N]; 1-ethyl-3-methylimidazolium ethylsulfate, [C1C2Im][EtSO4]) were measured as a function of temperature from (293 to 415) K and over an extended pressure range from (0.1 to 40) MPa using a vibratingtube densimeter. Knowledge of the variation of the density with temperature and pressure allows access to the mechanical coefficients: thermal expansion coefficient and isothermal compressibility. The effects of the anion and of the length of the alkyl chain on the imidazolium ring on the volumetric properties were particularly examined. The mechanical coefficients were compared with those of common organic solvents, water and liquid NaCl. Finally, a prediction model, based on an ideal volumetric behavior of the ILs, is proposed to allow calculation of the molar volume of imidazolium-based ionic liquids as a function of temperature
Compounds
# Formula Name
1 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
2 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
3 C8H16N2O4S 1-ethyl-3-methylimidazolium ethyl sulfate
4 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
5 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
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
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 10
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 36
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 10
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 36
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 10
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 36
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 10
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 36
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 10
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 36