Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Thermal properties of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids with linear, branched and cyclic alkyl substituents

Rotrekl, J.[Jan], Storch, J.[Jan], Klouzek, J.[Jaroslav], Vrbka, P.[Pavel], Husson, P.[Pascale], Andresova, A.[Adela], Bendova, M.[Magdalena], Wagner, Z.[Zdenek]
Fluid Phase Equilib. 2017, 443, 32-43
ABSTRACT
The present study is focused on four isomeric and quasi-isomeric ionic liquids, namely 1-alkyl-3-butylimidazolium bisf((trifluoromethyl)sulfonyl)imides, where alkyl stands for pentyl, isopentyl, 3-pentyl, or cyclopentyl. This series of ionic liquids has formerly been studied as to their densities and transport properties and has shown interesting behaviour with respect to their chemical structure [1]. This work extends our knowledge of the thermal properties of these ionic liquids. The isobaric heat capacity and the thermal stability were measured and put into relationships with the different chemical structures studied. Because of recycling of ionic liquids used, density was measured as a benchmark of the quality of material. Newly, the density data from this and previous work were corrected for their viscosity using experimental viscosity data.Together with measurements of velocity of sound, these data provided basis for calculation of coeficients of isobaric thermal expansivity and isentropic compressibility, quantities that are related to heat capacity. Similarly to previous work, the isomerization was found to have a pronounced effect on studied properties and the present fundamental physico-chemical data are therefore useful both in the design of new ionic liquids as well for in theoretical studies and molecular modeling. The data analysis and correlation were carried out using robust non-statistical methods based on mathematical gnostics.
Compounds
# Formula Name
1 C14H23F6N3O4S2 1-butyl-3-pentylimidazolium bis((trifluoromethyl)sulfonyl)imide
2 C14H21F6N3O4S2 1-cyclopentyl-3-butylimidazolium bis((trifluoromethyl)sulfonyl)imide
3 C14H23F6N3O4S2 1-butyl-3-(3-pentyl)imidazolium bis((trifluoromethyl)sulfonyl)imide
4 C14H23F6N3O4S2 1-butyl-3-isopentylimidazolium bis((trifluoromethyl)sulfonyl)amide
5 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]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
  • Vibrating tube method
  • 29
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 29
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 56
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 29
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 29
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 56
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 9
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 29
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 29
  • POMD
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 55
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 29
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 29
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 56
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11