Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility of 2-isopropylimidazole in nine pure organic solvents and liquid mixture of (methanol + ethyl acetate) from T = (278.15 to 313.15) K: Experimental measurement and thermodynamic modelling

Chen, J.[Jiao], Chen, G.[Gaoquan], Cong, Y.[Yang], Du, C.[Cunbin], Zhao, H.[Hongkun]
J. Chem. Thermodyn. 2017, 107, 133-140
ABSTRACT
Solubility of 2-isopropylimidazole in nine organic solvents including methanol, ethanol, n-propanol, isopropanol, acetone, acetonitrile, ethyl acetate, toluene, 2-butanone and liquid mixture of (methanol + ethyl acetate) were determined experimentally by using the isothermal saturation method over the temperature range from (278.15 to 313.15) K under atmosphere pressure (101.2 kPa). The solubility of 2-isopropylimidazole in the pure solvents increased with a rise of temperature. In general, the mole fraction solubility obeyed the following order from high to low in different pure solvents: methanol greater than ethanol greater than 2-butanone greater than n-propanol greater than acetone greater than isopropanol greater than ethyl acetate greater than acetonitrile greater than toluene. For the (methanol + ethyl acetate) mixture with given initial composition, the mole fraction solubility of 2- isopropylimidazole increase with increasing temperature and mass fraction of methanol. The obtained solubility of 2-isopropylimidazole in the pure solvents was correlated with the modified Apelblat equation and kh equation; and in the binary solvent mixture, the Jouyban Acree model, van t Hoff Jouyban Acree model and modified Apelblat Jouyban Acree model. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 19.2*10-3 and 1.07%, respectively. In addition, the standard dissolution enthalpy was calculated.
Compounds
# Formula Name
1 C6H10N2 2-isopropylimidazole
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C3H6O acetone
7 C4H8O butanone
8 C4H8O2 ethyl acetate
9 C2H3N acetonitrile
10 C7H8 toluene
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
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 2
  • 8
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 165