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

Influence of Molecular Structure on Densities and Viscosities of Several Ionic Liquids

Gacino, F. M.[Felix M.], Regueira, T.[Teresa], Lugo, L.[Luis], Comunas, M. J. P.[Maria J.P.], Fernandez, J.[Josefa]
J. Chem. Eng. Data 2011, 56, 12, 4984-4999
ABSTRACT
One of the potential applications of the ionic liquids (ILs) is their use as lubricants or lubricant additives. The choice of the cation and the anion of the ILs, as well as the side chain design, determine their fundamental properties, which permits us to create tailor-made lubricants and lubricant additives among other functional fluids. In this work we have studied 10 ILs for which we report densities and viscosities from 283.15 K (and for some ILs at lower temperatures) up to 373.15 K. The viscosities of the ILs fall in the range of the applications of hydraulic fluid or lubricants. Four of these ILs were composed by the anion tris(pentafluoroethyl)trifluorophosphate [(C2F5)3PF3]- and one of the following cations: 1-butyl-2,3-dimethylimidazolium [C4C1C1min]+, 1-butyl-1-methylpyrrolidinium [C4C1Pyrr]+, 1-(2-methoxyethyl)-1-methyl-pyrrolidinium [C1OC2C1Pyrr]+, and trihexyl(tetradecyl)phosphonium [P6,6,6,14]+. Furthermore, three of the ILs contain the anion bis(trifloromethylsulfonyl)imide [NTf2]- and one of the following cations [C4C1C1mim]+, [C4C1Pyrr]+, or [C1OC2C1Pyrr]+. Two other ILs contain the 1-ethyl-3-methylimidazolium cation [C2C1mim]+ and an alkyl sulfate anion (ethylsulfate [C2SO4]- or n-hexylsulfate [C6SO4]-). The last one is composed by [C4C1Pyrr]+ and trifluoromethanesulfonate [CF3SO3]-. The experimental values were used to determine the glass-transition temperature and fragility of these ILs and to analyze the capability of two group contribution methods recently proposed by Gardas and Coutinho for the density and viscosity prediction of ILs.
Compounds
# Formula Name
1 C15H17F18N2P 1-butyl-2,3-dimethyl-1H-imidazolium trifluorotris(perfluoroethyl)phosphate(V)
2 C15H20F18NP 1-butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate
3 C14H18F18NOP 1-(2-methoxyethyl)-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate
4 C38H68F18P2 trihexyl(tetradecyl)phosphonium tris(pentafluoroethyl)trifluorophosphate
5 C11H17F6N3O4S2 1-butyl-2,3-dimethyl-1H-imidazolium bis(trifluoromethylsulfonyl)amide
6 C11H20F6N2O4S2 1-butyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
7 C10H18F6N2O5S2 1-(2-methoxyethyl)-1-methylpyrrolidinium bis((trifluoromethyl)sulfonyl)amide
8 C8H16N2O4S 1-ethyl-3-methylimidazolium ethyl sulfate
9 C12H24N2O4S 3-ethyl-1-methyl-1H-imidazolium hexyl sulfate
10 C10H20F3NO3S 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate
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
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 19
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 23
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 19
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 19
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 24
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 24
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 22
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 22
  • POMD
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 21
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 21
  • POMD
  • 6
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 20
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 20
  • POMD
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 24
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 24
  • POMD
  • 8
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 25
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 25
  • POMD
  • 9
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 22
  • POMD
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 22
  • POMD
  • 10
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 19
  • POMD
  • 10
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 19