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

Phase Equilibria of (1-Hexyl-3-methylimidazolium Thiocyanate + Water, Alcohol, or Hydrocarbon) Binary Systems

Domanska, U.[Urszula], Krolikowska, M.[Marta], Arasimowica, M.[Monika]
J. Chem. Eng. Data 2010, 55, 2, 773-777
ABSTRACT
Imidazolium ionic liquid has been prepared from 1-methylimidazolium as a substrate. The work includes specific basic characterization of a synthesized compound by NMR spectra, water content, and a glass transition temperature determined by the differential scanning calorimetry (DSC). The mutual solubilities of 1-hexyl-3-methylimidazolium thiocyanate, [HMIM][SCN], with water, alcohols, n-alkanes (n-hexane, n-heptane, n-octane, n-nonane, or n-decane), aromatic hydrocarbons (benzene, toluene, or ethylbenzene), and cyclic hydrocarbons (cyclohexane or cycloheptane) have been measured at ambient pressure by a dynamic method in a range of temperatures from (200 to 420) K. The simple eutectic system was observed for water with complete miscibility in the liquid phase. Complete miscibility has been observed in the systems of [HMIM][SCN] with alcohols ranging from methanol to 1-decanol at a temperature of T = 298.15 K. The upper critical solution temperatures (UCSTs) were observed for the systems with n-alkanes and the lower critical solution temperatures (LCSTs) for the systems with aromatic hydrocarbons. The solubility decreases with an increase of the molecular weight of the solvent. The liquid-liquid phase equilibria (LLE) have been correlated using the nonrandom two-liquid (NRTL) equation. The average root-mean square deviation of the equilibrium mole fraction for all of the LLE data was 0.0021.
Compounds
# Formula Name
1 C11H19N3S 1-hexyl-3-methylimidazolium thiocyanate
2 H2O water
3 C6H14 hexane
4 C7H16 heptane
5 C8H18 octane
6 C9H20 nonane
7 C10H22 decane
8 C6H6 benzene
9 C7H8 toluene
10 C8H10 ethylbenzene
11 C6H12 cyclohexane
12 C7H14 cycloheptane
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
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Capillary tube (Ostwald; Ubbelohde) method
  • 1
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS:UFactor:4
  • 10
  • POMD
  • 3
  • 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:UFactor:32
  • 14
  • 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:UFactor:32
  • 7
  • POMD
  • 5
  • 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:UFactor:32
  • 11
  • 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:UFactor:32
  • 5
  • POMD
  • 7
  • 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:UFactor:32
  • 6
  • POMD
  • 8
  • 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:UFactor:32
  • 7
  • POMD
  • 9
  • 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:UFactor:32
  • 19
  • POMD
  • 10
  • 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:UFactor:32
  • 16
  • POMD
  • 11
  • 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:UFactor:32
  • 15
  • POMD
  • 12
  • 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:UFactor:32
  • 10