Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility correlation and thermodynamic analysis of two forms of Metaxalone in different pure solvents

Hong, M.[Minghuang], Wu, S.[Shiwang], Qi, M.[Minghui], Ren, G.[Guobin]
Fluid Phase Equilib. 2016, 409, 1-6
ABSTRACT
The solubility data of two forms of MTX in ethanol, isopropanol, ethyl acetate and toluene was measured over the temperature range from 283.15 K to 323.15 K using shake flask method under atmospheric pressure. The experimental results indicated that the solubility of both forms of MTX increased as the temperature increased. And it was clear that the solubility of form B was lower than the solubility of form A at the same state. The experimental data was correlated by the modified Apelblat equation, the polynomial equation and the Buchowski-Ksiazczak lambda-h equation. All these thermodynamic models gave satisfactory correlation results, with the polynomial equation showing better fitting degree than the other two equations. The results of thermodynamic parameters indicated an endothermic, entropy driven and nonspontaneous dissolution process of MTX in selected pure solvents.
Compounds
# Formula Name
1 C2H6O ethanol
2 C12H15NO3 Metazalone
3 C3H8O propan-2-ol
4 C4H8O2 ethyl acetate
5 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 - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Metastable crystal - 2
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 9
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Metastable crystal - 2
  • Chromatography
  • 9
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 9
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Metastable crystal - 2
  • Chromatography
  • 9
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 9
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Metastable crystal - 2
  • Chromatography
  • 9
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 9