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

Diffusion Coefficients of 1-Alkyl-3-methylimidazolium Ionic Liquids in Water, Methanol, and Acetonitrile at Infinite Dilution

Sarraute, S.[Sabine], Gomes, M. F. C.[Margarida F. Costa], Padua, A. A. H.[Agilio A. H.]
J. Chem. Eng. Data 2009, 54, 9, 2389-2394
ABSTRACT
The diffusion coefficients of several ionic liquids based on the 1-alkyl-3-methylimidazolium cation, [CnC1Im], with chloride, tetrafluoroborate, and bis(trifluoromethanesulfonyl)imide, [Ntf2], anions were measured, using a Taylor dispersion technique, in three solvents (water, methanol, and acetonitrile) as a function of temperature between (283 and 333) K. The diffusion coefficients vary from 0.57 * 10-9 m2 * s-1 for 1-methyl-3- octylimidazolium bis(trifluoromethanesulfonyl)imide, [C8C1im][Ntf2], in water to 3.48 * 10-9 m2 * s-1 for 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide, [C2C1im][Ntf2], in acetonitrile. In general, the diffusivities are lower for water, followed by methanol and acetonitrile, and decrease with an increase in the alkyl side chain of the imidazolium-based ionic liquids. These trends do not follow the Stokes-Einstein relation but can be explained by the solute-solvent interactions. The data were correlated using a modified Wilke-Chang equation in which a correction parameter was introduced. The correction parameter is independent of the temperature and is different for each solvent studied.
Compounds
# Formula Name
1 C8H15ClN2 1-butyl-3-methylimidazolium chloride
2 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
3 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
4 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
5 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
6 C14H23F6N3O4S2 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
7 C2H3N acetonitrile
8 CH4O methanol
9 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
  • 9
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 6
  • POMD
  • 9
  • 2
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 6
  • POMD
  • 9
  • 3
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 6
  • POMD
  • 7
  • 3
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 5
  • POMD
  • 8
  • 3
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 5
  • POMD
  • 9
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 6
  • POMD
  • 7
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 5
  • POMD
  • 8
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 5
  • POMD
  • 9
  • 5
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 6
  • POMD
  • 7
  • 5
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 5
  • POMD
  • 8
  • 5
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 5
  • POMD
  • 9
  • 6
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 6
  • POMD
  • 7
  • 6
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 5
  • POMD
  • 8
  • 6
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • TAYLOR:UFactor:2
  • 5