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

Liquid-Liquid Equilibria of Room Temperature Ionic Liquids and Butan-1-ol

Wu, A. C.-T.[Alex C-T], Marsh, K. N.[Kenneth N.], Deev, A. V.[Alexander V], Boxall, J. A.[John A]
J. Chem. Eng. Data 2003, 48, 3, 486-491
ABSTRACT
Room temperature ionic liquids are salts that are liquid at room temperature. Their use as catalysts and catalytic support has been studied extensively. However there are very few measurements on their solubility and phase equilibria in common organic solvents. In this work, the liquid-liquid phase equilibria of mixtures of room-temperature ionic liquids, 1-alkyl-3-methylimidazolium hexafluorophosphate, [Rnmim][PF6] (1) where Rn = butyl, pentyl, hexyl, heptyl and octyl, with butan-1-ol (2) over a composition range have been measured. The binodal coexistence curves of the mixtures were found to have an upper critical solution temperature (USCT) at x2 = approx. 0.9. The UCST decreases with increase the length of the alkyl chain of the ionic liquid, with the UCST of the butyl at 373 K and the octyl at 326 K. Both the UCST and the composition of UCST as a function of the 1-alkyl group chain length can be reasonably well predicted from theory based on unimolecular quantum chemical calculations.
Compounds
# Formula Name
1 C4H10O butan-1-ol
2 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
3 C9H17F6N2P 1-methyl-3-pentylimidazolium hexafluorophosphate
4 C10H19F6N2P 1-hexyl-3-methylimidazolium hexafluorophosphate
5 C11H21F6N2P 1-heptyl-3-methylimidazolium hexafluorophosphate
6 C12H23F6N2P 1-octyl-3-methylimidazolium hexafluorophosphate
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
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 15
  • POMD
  • 1
  • 3
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 25
  • POMD
  • 1
  • 4
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 17
  • POMD
  • 1
  • 5
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 18
  • POMD
  • 1
  • 6
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 22