Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase behaviour of 1-butyl-1-methylpyrrolidinium thiocyanate ionic liquid

Domanska-Zelazna, U.[Urzula], Krolikowska, M.[Marta]
Fluid Phase Equilib. 2011, 308, 1-2, 55-63
ABSTRACT
The phase diagrams for the binary systems of {1-butyl-1-methylpyrrolidinium thiocyanate [BMPYR][SCN] + an alcohol (1-hexanol, 1-heptanol, 1-octanol, 1-nonanol, 1-decanol, 1-undecanol, 1-dodecanol), or + water, or + aliphatic hydrocarbons (n-hexane, n-heptane, n-octane), or + cyclohexane, or + cycloheptane, or + aromatic hydrocarbons (benzene, toluene, ethylbenzene)} have been determined at atmospheric pressure using a dynamic method. The basic thermal properties of pure ILs, i.e. melting temperature and the enthalpy of fusion, the solid-solid phase transition temperature and enthalpy have been measured using a differential scanning microcalorimetry technique. The decomposition of [BMPYR][SCN] was detected. The density and viscosity of the IL at 298.15 K were measured. (Solid + liquid) phase equilibrium diagrams with complete miscibility in the liquid phase region were observed for the systems involving alcohols and water. A decrease in the solubility of [BMPYR][SCN] in alcohols was observed with an increase of the alkyl chain length of an alcohol. (Solid + liquid) phase equilibrium diagrams with immiscibility in the liquid phase region were observed for the systems involving hydrocarbons. As for all ionic liquids (ILs) solubility decreases with an increase of number of carbon atoms in n-alkanes, cyclohydrocarbons, or of substituents at the benzene ring. The correlation of the experimental data has been carried out using the NRTL equation. The data presented here have been compared to the systems published earlier for the thiocyanate based ILs and for ILs with 1-butyl-1-methylpyrrolidinium cation. The influence of the cation and anion on the phase behaviour has been discussed.
Compounds
# Formula Name
1 C10H20N2S 1-butyl-1-methylpyrrolidinium thiocyanate
2 C6H14O hexan-1-ol
3 C7H16O heptan-1-ol
4 C8H18O octan-1-ol
5 C9H20O nonan-1-ol
6 C10H22O decan-1-ol
7 C11H24O 1-undecanol
8 C12H26O dodecan-1-ol
9 H2O water
10 C6H14 hexane
11 C7H16 heptane
12 C8H18 octane
13 C6H12 cyclohexane
14 C7H14 cycloheptane
15 C6H6 benzene
16 C7H8 toluene
17 C8H10 ethylbenzene
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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • DTA
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 1
  • POMD
  • 2
  • 1
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 2
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 2
  • Crystal - 2
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 18
  • POMD
  • 3
  • 1
  • Eutectic temperature, K ; Crystal - 3
  • Crystal - 3
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 3
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 3
  • Crystal - 3
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA:::
  • 1
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 18
  • POMD
  • 4
  • 1
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 4
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 4
  • Crystal - 4
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA::
  • 1
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 17
  • POMD
  • 5
  • 1
  • Eutectic temperature, K ; Crystal - 5
  • Crystal - 5
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 5
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 5
  • Crystal - 5
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA::
  • 1
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 18
  • POMD
  • 6
  • 1
  • Eutectic temperature, K ; Crystal - 6
  • Crystal - 6
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 6
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 6
  • Crystal - 6
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA::
  • 1
  • POMD
  • 6
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 23
  • POMD
  • 7
  • 1
  • Eutectic temperature, K ; Crystal - 7
  • Crystal - 7
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 7
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 7
  • Crystal - 7
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 7
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 17
  • POMD
  • 8
  • 1
  • Eutectic temperature, K ; Crystal - 8
  • Crystal - 8
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 8
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 8
  • Crystal - 8
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA::
  • 1
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 15
  • POMD
  • 9
  • 1
  • Eutectic temperature, K ; Crystal - 9
  • Crystal - 9
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA:
  • 1
  • POMD
  • 9
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 9
  • Crystal - 9
  • Crystal - 1
  • Liquid mixture 1
  • Air at 1 atmosphere
  • PHASDIA::
  • 1
  • POMD
  • 9
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 27
  • POMD
  • 10
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 10
  • 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
  • 8
  • POMD
  • 11
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 10
  • 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
  • 9
  • POMD
  • 12
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 7
  • 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
  • 6
  • POMD
  • 13
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 8
  • POMD
  • 13
  • 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
  • 6
  • POMD
  • 14
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 7
  • POMD
  • 14
  • 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
  • 5
  • POMD
  • 15
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 32
  • POMD
  • 15
  • 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
  • 8
  • POMD
  • 16
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 21
  • POMD
  • 16
  • 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
  • 6
  • POMD
  • 17
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Crystal - 1
  • VISOBS
  • 13
  • POMD
  • 17
  • 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
  • 4