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

Solubility of Benzothiazolium Ionic Liquids in Water and in Furfural

Jia, C.[Chunmei], Cao, Y.[Yu], Zuo, T.[Tao], Hu, R.[Rong], Yao, T.[Tian], Song, H.[Hang]
J. Chem. Eng. Data 2015, 60, 4, 999-1005
ABSTRACT
The solubility of benzothiazolium ionic liquids in water and in furfural was determined by static analytical and dynamic methods, respectively. The solid liquid equilibrium data were correlated by using the nonrandom two-liquid (NRTL), Wilson, modified Apelblat, and ?h models, respectively. Among the models, the modified Apelblat gave the best correlation results with the average relative deviation (ARD) of 2.02%. The effect of alkyl chain length on the solubility was discussed. The (liquid + liquid) phase equilibrium was observed in the system of benzothiazolium ionic liquids and water below the melting temperature of the ionic liquid. The solubility of benzothiazolium ionic liquids in furfural was much higher than in water, indicating the potential of application in extraction of furfural from aqueous solution.
Compounds
# Formula Name
1 H2O water
2 C5H4O2 2-furaldehyde
3 C11H14F6NPS 3-butylbenzo[d]thiazol-3-ium hexafluorophosphate(V)
4 C12H16F6NPS N-pentylbenzothiazolium hexafluorophosphate
5 C13H18F6NPS N-hexylbenzothiazolium hexafluorophosphate
6 C14H20F6NPS 3-heptylbenzo[d]thiazol-3-ium hexafluorophosphate
7 C15H22F6NPS N-octylbenzothiazolium hexafluorophosphate
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
  • 3
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 6
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 3
  • spectroscopy
  • 2
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 3
  • spectroscopy
  • 17
  • POMD
  • 1
  • 4
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • spectroscopy
  • 19
  • POMD
  • 1
  • 5
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • spectroscopy
  • 5
  • POMD
  • 1
  • 5
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • spectroscopy
  • 15
  • POMD
  • 1
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • spectroscopy
  • 16
  • POMD
  • 1
  • 6
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • spectroscopy
  • 2
  • POMD
  • 1
  • 7
  • Mole fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • spectroscopy
  • 7
  • POMD
  • 1
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • spectroscopy
  • 11
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • titration
  • 9
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • titration
  • 11
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • titration
  • 17
  • POMD
  • 2
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • titration
  • 18
  • POMD
  • 2
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • titration
  • 17