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

Measurement and Correlation of Partition Coefficients for Phenolic Compounds in the 1-Butyl-3-methylimidazolium Hexafluorophosphate/Water Two-Phase System

Inoue, G.[Go], Shimoyama, Y.[Yusuke], Su, F.[Feifei], Takada, S.[Satoshi], Iwai, Y.[Yoshio], Arai, Y.[Yasuhiko]
J. Chem. Eng. Data 2007, 52, 1, 98-101
ABSTRACT
Partition coefficients for phenol; o-, m-, and p-cresols; 3,5-xylenol; and R-naphthol in an ionic liquid/water twophase system were measured at 298.2 K. 1-Butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) was used as the ionic liquid. Further, the infinite dilution partition coefficients were also determined by extrapolation. The infinite dilution partition coefficients were correlated by regular solution theory. Interaction parameters between phenolic compounds and [bmim][PF6] pairs were determined by plotting the infinite dilution partition coefficients against the solubility parameters of the phenolic compounds. The correlated results are in good agreement with the experimental data.
Compounds
# Formula Name
1 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
2 C6H6O phenol
3 C7H8O 2-methylphenol
4 C7H8O 3-methylphenol
5 C7H8O 4-methylphenol
6 C8H10O 3,5-dimethylphenol
7 C10H8O 1-naphthol
8 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
  • 8
  • 1
  • Mole fraction - 8 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • UV spectrophotometer
  • 1
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • UV spectrophotometer
  • 1
  • POMD
  • 2
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 2 ; Liquid - 1
  • Amount concentration (molarity), mol/dm3 - 2; Liquid - 8
  • Pressure, kPa; Liquid - 1
  • Temperature, K; Liquid - 1
  • Liquid - 1
  • Liquid - 8
  • SPECTR
  • 4
  • POMD
  • 2
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 2; Liquid - 8
  • Liquid mixture 1
  • Liquid - 8
  • extrapolation of results to 0 concentration
  • 1
  • POMD
  • 3
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 3 ; Liquid - 1
  • Amount concentration (molarity), mol/dm3 - 3; Liquid - 8
  • Temperature, K; Liquid - 1
  • Pressure, kPa; Liquid - 1
  • Liquid - 1
  • Liquid - 8
  • SPECTR
  • 4
  • POMD
  • 3
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 3; Liquid - 8
  • Liquid mixture 1
  • Liquid - 8
  • extrapolation of results to 0 concentration
  • 1
  • POMD
  • 4
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 4 ; Liquid - 1
  • Amount concentration (molarity), mol/dm3 - 4; Liquid - 8
  • Pressure, kPa; Liquid - 1
  • Temperature, K; Liquid - 1
  • Liquid - 1
  • Liquid - 8
  • SPECTR
  • 4
  • POMD
  • 4
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 4; Liquid - 8
  • Liquid mixture 1
  • Liquid - 8
  • extrapolation of results to 0 concentration
  • 1
  • POMD
  • 5
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 5 ; Liquid - 1
  • Amount concentration (molarity), mol/dm3 - 5; Liquid - 8
  • Pressure, kPa; Liquid - 1
  • Temperature, K; Liquid - 1
  • Liquid - 1
  • Liquid - 8
  • SPECTR
  • 4
  • POMD
  • 5
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 5; Liquid - 8
  • Liquid mixture 1
  • Liquid - 8
  • extrapolation of results to 0 concentration
  • 1
  • POMD
  • 6
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 6 ; Liquid - 1
  • Amount concentration (molarity), mol/dm3 - 6; Liquid - 8
  • Pressure, kPa; Liquid - 1
  • Temperature, K; Liquid - 1
  • Liquid - 1
  • Liquid - 8
  • SPECTR
  • 4
  • POMD
  • 6
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 6; Liquid - 8
  • Liquid mixture 1
  • Liquid - 8
  • extrapolation of results to 0 concentration
  • 1
  • POMD
  • 7
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 7 ; Liquid - 1
  • Amount concentration (molarity), mol/dm3 - 7; Liquid - 8
  • Pressure, kPa; Liquid - 1
  • Temperature, K; Liquid - 1
  • Liquid - 1
  • Liquid - 8
  • SPECTR
  • 3
  • POMD
  • 7
  • 8
  • 1
  • Amount concentration (molarity), mol/dm3 - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 7; Liquid - 8
  • Liquid mixture 1
  • Liquid - 8
  • extrapolation of results to 0 concentration
  • 1