Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

A new insight into pure and water-saturated quaternary phosphonium-based carboxylate ionic liquids: Density, heat capacity, ionic conductivity, thermogravimetric analysis, thermal conductivity and viscosity

Oster, K., Goodrich, P., Jacquemin, J., Hardacre, C., Ribeiro, A.P.C., Elsinawi, A.
J. Chem. Thermodyn. 2018, 121, 97-111
ABSTRACT
Ionic Liquids (ILs) are task specific materials with tunable properties which may be applied as heat transfer fluids (HTFs) due to their characteristic properties including low vapour pressure, wide liquid range and high thermal stability. This study provides an evaluation of their potential as HTFs from both their physicochemical properties as well as an economic comparison with commonly used materials. The paper presents the thermophysical properties (density, isobaric heat capacity, ionic conductivity, viscosity, thermal stability by TGA, thermal conductivity) and their thermodynamic derivatives (isobaric thermal expansion coefficient, excess molar volume, excess molar heat capacity), as well as the Walden rule of ionicity for a range of hydrophobic ILs based on the trihexyl(tetradecyl)phosphonium, ([P14,6,6,6]+), cation. The ionic liquids studied are trihexyl(tetradecyl)phosphonium acetate ([AcO]-), butanoate ([ButO]-), hexanoate ([HexO]-), octanoate ([OctO]-), and decanoate ([DecO]-), as well as their mixtures with water. It was shown that investigated systems are highly promising materials as HTFs, especially ILs + water mixtures, which may be the solution for many engineering issues.
Compounds
# Formula Name
1 C34H71O2P trihexyl(tetradecyl)phosphonium acetate
2 C36H75O2P trihexyl(tetradecyl)phosphonium butyrate
3 C38H79O2P trihexyl(tetradecyl)phosphonium hexanoate
4 C40H83O2P trihexyl(tetradecyl)phosphonium octanoate
5 C42H87O2P trihexyltetradecylphosphonium decanoate
6 C14H23F6N3O4S2 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
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
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 15
  • POMD
  • 1
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 16
  • POMD
  • 1
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • THOTW
  • 9
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 15
  • POMD
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 16
  • POMD
  • 2
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • THOTW
  • 9
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 15
  • POMD
  • 3
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 16
  • POMD
  • 3
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • THOTW
  • 9
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 15
  • POMD
  • 4
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 16
  • POMD
  • 4
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • THOTW
  • 9
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 15
  • POMD
  • 5
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 16
  • POMD
  • 5
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • THOTW
  • 9
  • POMD
  • 6
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • THOTW
  • 9
  • POMD
  • 2
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 2
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Vibrating tube method
  • 8
  • POMD
  • 2
  • 7
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 14
  • POMD
  • 2
  • 7
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 2
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Cone and plate viscometry
  • 15
  • POMD
  • 2
  • 7
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • THOTW
  • 7
  • POMD
  • 3
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 3
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Vibrating tube method
  • 8
  • POMD
  • 3
  • 7
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 14
  • POMD
  • 3
  • 7
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 3
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Cone and plate viscometry
  • 15
  • POMD
  • 3
  • 7
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • THOTW
  • 7
  • POMD
  • 4
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 4
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Vibrating tube method
  • 8
  • POMD
  • 4
  • 7
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 14
  • POMD
  • 4
  • 7
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 4
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Cone and plate viscometry
  • 15
  • POMD
  • 4
  • 7
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • THOTW
  • 7
  • POMD
  • 5
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 5
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Vibrating tube method
  • 8
  • POMD
  • 5
  • 7
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 14
  • POMD
  • 5
  • 7
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 11
  • POMD
  • 5
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Cone and plate viscometry
  • 15
  • POMD
  • 5
  • 7
  • Thermal conductivity, W/m/K ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • THOTW
  • 7