Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibria study of the (N-octylisoquinolinium thiocyanate ionic liquid + aliphatic and aromatic hydrocarbon, or thiophene) binary systems

Krolikowska, M.[Marta], Karpinska, M.[Monica]
J. Chem. Thermodyn. 2013, 63, 128-134
ABSTRACT
Binary liquid + liquid phase equilibria for 8 systems containing N-octylisoquinolinium thiocyanate, [C8iQuin][SCN] and aliphatic hydrocarbon (n-hexane, n-heptane), cyclohexane, aromatic hydrocarbon (benzene, toluene, ethylbenzene, n-propylbenzene) and thiophene have been determined using dynamic method. The experiment was carried out from room temperature to the boiling-point of the solvent at atmospheric pressure. For the tested binary systems the mutual immiscibility with an upper critical solution temperature (UCST) for {IL + aliphatic hydrocarbon, or thiophene} were observed. The immiscibility gap with lower critical solution temperature (LCST) for the {IL + aromatic hydrocarbon} were determined. The parameters of the LLE correlation equation for the tested binary systems have been derived using NRTL equation. The phase equilibria diagrams presented in this paper are compared with literature data for the corresponding ionic liquids with N-alkylisoquinolinium, or N-alkylquinolinium cation and with thiocyanate based ionic liquids. The influence of the ionic liquid structure on mutual solubility with aliphatic and aromatic hydrocarbons and thiophene is discussed.
Compounds
# Formula Name
1 C6H14 hexane
2 C7H16 heptane
3 C6H12 cyclohexane
4 C6H6 benzene
5 C7H8 toluene
6 C8H10 ethylbenzene
7 C9H12 propylbenzene
8 C4H4S thiophene
9 C18H24N2S 2-octylisoquinolinium thiocyanate
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
  • 9
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 8
  • POMD
  • 2
  • 9
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 9
  • POMD
  • 3
  • 9
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 10
  • POMD
  • 4
  • 9
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 8
  • POMD
  • 5
  • 9
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 13
  • POMD
  • 6
  • 9
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 11
  • POMD
  • 7
  • 9
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 9
  • POMD
  • 8
  • 9
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 34