Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Thermodynamic models for determination of the solubility of omeprazole sulfide in (ethanol + ethyl acetate) binary solvent mixtures

Guo, Q.[Qirun], Hu, Y.[Yonghong], Yang, W.[Wenge], Zhang, T.[Tuan], Wu, K.[Keyi], Yang, S.[Shouhai], Shi, Y.[Ying]
Fluid Phase Equilib. 2015, 406, 21-26
ABSTRACT
The solubility of omeprazole sulfide in (ethanol + ethyl acetate) binary solvent mixtures was measured within the temperature range from 277.65 to 333.15K. The experimental data were fitted using CNIBS/R K equation and the Jouyban Acree equation, respectively. All the two equations were proven to give good representations of the experimental values. Computational results showed that the CNIBS/R K equation was superior to the other equation. The thermodynamic properties of the solution process, including the Gibbs free energy, enthalpy and entropy, were calculated by the van t Hoff analysis. The values of both the enthalpy change and the standard molar Gibbs free energy change of solution were positive, which indicated that the process was endothermic.
Compounds
# Formula Name
1 C17H19N3O2S Omeprazole sulfide
2 C2H6O ethanol
3 C4H8O2 ethyl acetate
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric after drying solvent
  • 96