Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Isobutane as a probe of the structure of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids

Pison, L.[Laure], Bernales, V.[Varinia], Fuentealba, P.[Patricio], Padua, A. A. H.[Agilio A.H.], Costa Gomes, M. F.[Margarida F.]
J. Chem. Thermodyn. 2015, 89, 98-103
ABSTRACT
An experimental study of the solubility and of the thermodynamic properties of solvation, between temperatures (303 and 343) K and at pressures close to atmospheric, of 2-methylpropane (isobutane) in several ionic liquids based on the bis(trifluoromethylsulfonyl)imide anion and on 1-alkyl-3-methylimidazolium cations, [CnC1Im][NTf2], with alkyl side-chains varying from two to ten carbon atoms is presented. The isobutane solubility increases with increasing size of the alkyl side-chain of the cation in the ionic liquid and decreases with increasing temperature (as typical of an exothermal dissolution process). The mole fraction solubility of isobutane varies from 0.904.10^(-2) in [C2C1Im][NTf2] at T = 343 K to 1.002.10^(-1) in [C10C1Im][NTf2] at T = 303 K. The values measured in this work are compared to the behaviour of n-butane in the same ionic liquids published in a previous study (Costa Gomes et al., 2012). Isobutane was found to be significantly less soluble than n-butane in all the ionic liquids. The differences found are interpreted in relation to the molecular structures obtained by molecular dynamics simulations for the solutions of n-butane and isobutane in the studied [CnC1Im][NTf2] ionic liquids.
Compounds
# Formula Name
1 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
2 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
3 C14H23F6N3O4S2 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
4 C16H27F6N3O4S2 1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide
5 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
6 C4H10 2-methylpropane
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
  • 6
  • 1
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric
  • 13
  • POMD
  • 6
  • 5
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric
  • 10
  • POMD
  • 6
  • 2
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric
  • 12
  • POMD
  • 6
  • 3
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric
  • 10
  • POMD
  • 6
  • 4
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric
  • 10