Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Influence of the number, position and length of the alkyl-substituents on the solubility of water in pyridinium-based ionic liquids

Gonzalez, E. J.[Emilio J.], Macedo, E. A.[Eugenia A.]
Fluid Phase Equilib. 2014, 383, 72-77
ABSTRACT
In this work, the solubility of water in eight pyridinium-based ionic liquids were experimentally determined at several temperatures and atmospheric pressure, and the temperature-composition phase diagrams are reported. From these data, the effect of the number, position (positional isomers) and length of the substituents of the cation was analyzed and discussed. The obtained results indicate that solubility of water in the studied ionic liquids increases with temperature and, in general, it decreases as the number and length of the substituents increase. As regards the position of the alkyl groups, the solubility of water decreases with the proximity of the substituents. Finally, the miscibility of water in the studied ionic liquids was satisfactorily described with the Non-Random Two-Liquid (NRTL) thermodynamic model.
Compounds
# Formula Name
1 H2O water
2 C9H10F6N2O4S2 1-ethylpyridinium bis[(trifluoromethyl)sulfonyl]imide
3 C10H12F6N2O4S2 1-ethyl-2-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
4 C10H12F6N2O4S2 1-ethyl-3-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
5 C10H12F6N2O4S2 1-ethyl-4-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
6 C11H14F6N2O4S2 1-butylpyridinium bis[(trifluoromethyl)sulfonyl]imide
7 C12H16F6N2O4S2 1-butyl-2-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
8 C12H16F6N2O4S2 1-butyl-3-methylpyridinium 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
9 C12H16F6N2O4S2 1-butyl-4-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
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
  • 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 1
  • 9
  • Mole fraction - 9 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11