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

Liquid Liquid Equilibria in Aqueous 1-Alkyl-3-methylimidazolium- and 1-Butyl-3-ethylimidazolium-Based Ionic Liquids

Dimitrijevic, A.[Aleksandra], Trtic-Petrovic, T.[Tatjana], Vranes, M.[Milan], Papovic, S.[Snezana], Tot, A.[Aleksandar], Dozic, S.[Sanja], Gadzuric, S.[Slobodan]
J. Chem. Eng. Data 2016, 61, 1, 549-555
ABSTRACT
In this work, novel phase diagrams for aqueous solutions of 1-alkyl-3-methylimidazolium- and 1-butyl-3-ethylimidazolium-based ILs combined with phosphate-based salts, namely, K3PO4 or K2HPO4, are reported and discussed. To correlate the binodal data, the Merchuk equation is applied. The tie lines and tie-line lengths are also presented. The anion influence on the ability to form aqueous biphasic system (ABS) is investigated for the IL with the same1-butyl-3-methylimidazolium cation, [bmim]+, and various anions, for example, salicylate, [SAL]-; trifluoromethanesulfonate, [TFS]-; dicyanamide, [DCA]-; and chloride, [Cl]-. The order of studied anions to form ABS is [TFS]- greater than [SAL]- greater than [DCA]- greater than [Cl]-. The effect of alkyl chain length on imidazolium ion on liquid liquid equilibrium is discussed in terms of increasing ionic liquid hydrophobicity and poorer affinity for water. It is shown that 1-hexyl-3-methylimidazolium chloride ionic liquid has a better ability to form ABS comparing to ionic liquid with butyl chain and the same anion. Newly synthesized ionic-liquid-containing ethyl group 1-butyl-3-ethylimidazolium bromide was also investigated, showing the influence of both ethyl group and bromide anion on the ability of ABS formation.
Compounds
# Formula Name
1 HK2O4P dipotassium hydrogen phosphate
2 K3O4P tripotassium phosphate
3 C10H15N5 1-butyl-3-methylimidazolium dicyanamide
4 C9H15F3N2O3S 1-butyl-3-methylimidazolium trifluoromethanesulfonate
5 C8H15ClN2 1-butyl-3-methylimidazolium chloride
6 C15H20N2O3 1-butyl-3-methylimidazolium salicylate
7 C9H17BrN2 1-butyl-3-ethylimidazolium bromide
8 C10H19ClN2 1-hexyl-3-methylimidazolium chloride
9 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
  • 9
  • 2
  • 6
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 29
  • POMD
  • 9
  • 2
  • 6
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 3
  • POMD
  • 9
  • 1
  • 6
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 31
  • POMD
  • 9
  • 1
  • 6
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 3
  • POMD
  • 9
  • 2
  • 7
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 25
  • POMD
  • 9
  • 2
  • 7
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 9
  • 1
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 22
  • POMD
  • 9
  • 1
  • 7
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 9
  • 1
  • 4
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 25
  • POMD
  • 9
  • 1
  • 4
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 1
  • POMD
  • 9
  • 1
  • 3
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 1
  • POMD
  • 9
  • 1
  • 3
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 21
  • POMD
  • 9
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 1
  • POMD
  • 9
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 24
  • POMD
  • 9
  • 1
  • 5
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 20
  • POMD
  • 9
  • 1
  • 8
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 19