Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Thermodynamic equilibrium of hydrocortisone form I in different solvent systems

He, Meng, Wang, Yongli, Xiao, Liping, Lou, Yajing, Su, Nannan, Li, Yang, Hao, Hongxun
Fluid Phase Equilib. 2017, 454, 1-10
ABSTRACT
The solubility of hydrocortisone form I in seven pure solvents and one kind of binary solvent system from (278.15 to 323.15) K was experimentally determined by using a dynamic method under atmospheric pressure. The results show that the solubility of hydrocortisone form I monotonously increases with increasing of temperature and reaches the maximum at ethanol molar fraction of 0.60 in binary solvent mixture of ethyl acetate and ethanol at constant temperature. The experimental solubility data in pure solvents were correlated by the modified Apelblat equation, the lambda-h equation and the van't Hoff equation while the experimental solubility data in binary solvent systems were correlated by the modified Apelblat equation and the CNIBS/R-K model. In addition, the apparent thermodynamic properties (enthalpy, entropy, and Gibbs energy) of mixing processes and dissolution processes were also calculated based on the NRTL model. The calculated results indicate that the dissolution process of hydrocortisone form I in tested solvents is spontaneous and endothermic.
Compounds
# Formula Name
1 C21H30O5 11.beta.,17.alpha.,21-trihydroxypregn-4-ene-3,20-dione
2 C2H6O ethanol
3 C3H6O acetone
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 C4H10O 2-methyl-1-propanol
7 C2H3N acetonitrile
8 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
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 10
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 10
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 10
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 10
  • POMD
  • 1
  • 2
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 80