Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility measurement and thermodynamic functions of dehydroepiandrosterone acetate in different solvents at evaluated temperatures

Cheng, C.[Chao], Cong, Y.[Yang], Meng, L.[Long], Wang, J.[Jian], Yao, G.[GanBing], Zhao, H.[Hongkun]
J. Chem. Thermodyn. 2016, 97, 158-166
ABSTRACT
The solubility was measured for dehydroepiandrosterone acetate in cyclohexane, acetone, ethyl acetate, acetonitrile, methanol, 1-butanol, ethanol and isopropanol by high-performance liquid chromatography analysis under the pressure of 101.3 kPa. The temperature of the determination varied from (273.15 K to 318.15) K. The dehydroepiandrosterone acetate solubility increased with the increase in temperature, and obeyed the following order from high to low: ethyl acetate greater than acetone greater than 1-butanol greater than acetonitrile greater than (cyclohexane, isopropanol) greater than ethanol greater than methanol. They were correlated with four models, viz. the modified Apelblat equation, kh equation, Wilson model and NRTL model. The largest average standard deviation is 5.93.10^-4, and the largest relative average deviation is 1.18% for each set of solubility values. The calculated solubility was in good agreement with the experimental values for the four models. Moreover, the thermodynamic properties of the solution process, including the apparent standard dissolution enthalpy and excess enthalpy were calculated. The experimental solubility, thermodynamic models and thermodynamic properties are very important in the purification process of dehydroepiandrosterone acetate.
Compounds
# Formula Name
1 C21H30O3 dehydroepiandrosterone acetate
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-2-ol
5 C4H10O butan-1-ol
6 C3H6O acetone
7 C4H8O2 ethyl acetate
8 C2H3N acetonitrile
9 C6H12 cyclohexane
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
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Flotation method
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 9
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 8