Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility of ionic liquids in water and octan-1-ol and octan-1-ol/water, or 2-phenylethanol/water partition coefficients

Domanska, U.[Urszula], Krolikowski, M.[Marek], Pobudkowska, A.[Aneta], Bochenska, P.[Patrycja]
J. Chem. Thermodyn. 2012, 55, 225-233
ABSTRACT
The solubility of 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate, [EMIM][FAP] and 1-hexyl-3-methylpyridinium triflate, [HM3Py][CF3SO3] in octan-1-ol, water, and 2-phenylethanol have been determined at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from 270 K to 360 K. The immiscibility in the liquid phase with an upper critical solution temperature (UCST) was observed in ([EMIM][FAP] + octan-1-ol, or water). The complete miscibility in the liquid phase was observed for the binary system ([EMIM][FAP] + 2-phenylethanol). The simple liquidus curves with complete miscibility in the liquid phase were observed for the binary systems ([HM3Py][CF3SO3] + 1-octanol, or 2-phenylethanol) and with miscibility gap in water. The octan-1-ol/ water, Kow and 2-phenylethanol/water, KPhw partition coefficients in ternary liquid-liquid phase equilibrium were determined for the systems {[EMIM][FAP], or [HM3Py][CF3SO3], or N-octylisoquinolinium bis{(trifluoromethyl)sulfonyl}imide, [OiQuin][NTf2] (1) + octan-1-ol (2) + water (3)} at temperature T = 298.15 K.
Compounds
# Formula Name
1 C12H11F18N2P 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate
2 C13H20F3NO3S 1-hexyl-3-methylpyridinium trifluoromethanesulfonate
3 C19H24F6N2O4S2 2-octylisoquinolinium bis((trifluoromethyl)sulfonyl)amide
4 C8H18O octan-1-ol
5 C8H10O 2-phenylethanol
6 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
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Visual method
  • 1
  • POMD
  • 4
  • 1
  • 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
  • 14
  • POMD
  • 6
  • 1
  • 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
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 34
  • POMD
  • 5
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 17
  • POMD
  • 6
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 9
  • POMD
  • 6
  • 2
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 11
  • POMD
  • 4
  • 6
  • 1
  • Amount concentration (molarity), mol/dm3 - 1 ; Liquid mixture 2
  • Amount concentration (molarity), mol/dm3 - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • SPECTR
  • 6
  • POMD
  • 4
  • 6
  • 2
  • Amount concentration (molarity), mol/dm3 - 2 ; Liquid mixture 2
  • Amount concentration (molarity), mol/dm3 - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • SPECTR
  • 7
  • POMD
  • 4
  • 6
  • 3
  • Amount concentration (molarity), mol/dm3 - 3 ; Liquid mixture 2
  • Amount concentration (molarity), mol/dm3 - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • SPECTR
  • 7
  • POMD
  • 5
  • 6
  • 1
  • Amount concentration (molarity), mol/dm3 - 1 ; Liquid mixture 2
  • Amount concentration (molarity), mol/dm3 - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • SPECTR
  • 10
  • POMD
  • 5
  • 6
  • 2
  • Amount concentration (molarity), mol/dm3 - 2 ; Liquid mixture 2
  • Amount concentration (molarity), mol/dm3 - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • SPECTR
  • 9
  • POMD
  • 5
  • 6
  • 3
  • Amount concentration (molarity), mol/dm3 - 3 ; Liquid mixture 2
  • Amount concentration (molarity), mol/dm3 - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • SPECTR
  • 7