Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) phase equilibria of 1-alkyl-3-methylimidazolium methylsulfate with alcohols, or ethers, or ketones

Domanska, U.[Urszula], Pobudkowska, A.[Aneta], Eckert, F.[Frank]
J. Chem. Thermodyn. 2006, 38, 6, 685-695
ABSTRACT
Solubilities of binary mixtures that contain a room-temperature ionic liquid and an organic solvent namely, 1,3-dimethylimidazolium methylsulfate, [mmim][CH3SO4], or 1-butyl-3-methylimidazolium methylsulfate, [bmim][CH3SO4] with an alcohol (hexan-1-ol, or octan-1-ol, or nonan-1-ol, or decan-1-ol), or an ether (dipropyl ether, or dibutyl ether, or methyl-1,1-dimethylethyl ether, or methyl-1,1-dimethylpropyl ether), or a ketone (pentan-2-one, or pentan-3-one, or hexan-2-one, or heptan-4-one, or cyclopentanone) have been measured by a visual method from T = 270 K to the boiling temperature of the solvent. The (liquid + liquid) equilibria curves were predicted by the COSMO-RS method. For [bmim][CH3SO4], the COSMO-RS predictions correspond better with experimental results than do the predictions for [mmim][CH3SO4]. Complete miscibility has been observed in the systems of [mmim][CH3SO4] with water and with alcohols ranging from methanol to octan-1-ol and that of [bmim][CH3SO4] with water and with alcohols ranging from methanol to decan-1-ol at the temperature T = 310 K.
Compounds
# Formula Name
1 C6H12N2O4S 1,3-dimethylimidazolium methylsulfate
2 C9H18N2O4S 1-butyl-3-methylimidazolium methyl sulfate
3 C6H14O hexan-1-ol
4 C8H18O octan-1-ol
5 C9H20O nonan-1-ol
6 C10H22O decan-1-ol
7 C6H14O dipropyl ether
8 C8H18O dibutyl ether
9 C5H12O 2-methoxy-2-methylpropane
10 C6H14O 2-methoxy-2-methylbutane
11 C5H10O pentan-2-one
12 C5H10O pentan-3-one
13 C6H12O 2-hexanone
14 C7H14O 4-heptanone
15 C5H8O cyclopentanone
16 C7H16O heptan-1-ol
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
  • 16
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:8
  • 13
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:8
  • 16
  • 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:16
  • 30
  • 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:16
  • 17
  • POMD
  • 6
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS:UFactor:16
  • 23
  • 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:16
  • 25
  • 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:16
  • 13
  • 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:16
  • 15
  • 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:16
  • 13
  • 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:16
  • 11
  • 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:16
  • 13
  • 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:UFactor:16
  • 12
  • 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:UFactor:16
  • 11
  • 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:UFactor:16
  • 9
  • POMD
  • 8
  • 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:UFactor:16
  • 13
  • POMD
  • 9
  • 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:UFactor:16
  • 10
  • POMD
  • 10
  • 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:UFactor:32
  • 15
  • POMD
  • 11
  • 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:UFactor:16
  • 10
  • POMD
  • 12
  • 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:UFactor:32
  • 8
  • POMD
  • 13
  • 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:UFactor:32
  • 7
  • POMD
  • 14
  • 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:UFactor:64
  • 6