Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Measurement and Correlation of the Solubility of Mifepristone in Eight Pure and Water + Methanol Mixed Solvents at Temperatures from 273.15 to 318.15 K

Xu, Juan, Li, Peng, Chen, Xiaofeng, Wang, Huiping, Ning, Lifeng
J. Chem. Eng. Data 2019, 64, 4, 1469-1479
ABSTRACT
The solubility of Mifepristone in eight pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, propanone, ethyl acetate, tetrahydrofuran and mixed solvents of water + methanol have been experimented at 273.15 to 318.15 K by using an experimental method of High Performance Liquid Chromatography (HPLC). The solubility data in eight pure solvents was correlated by the modified Apelblat equation, Van't Hoff equation, h equation, NRTL equation, UNIQUAC equation, and Wilson equation. The solubility data in the mixed solvents of water + methanol was correlated by the modified Apelblat equation, Van't Hoff equation, h equation, NRTL equation, UNIQUAC equation, Jouyban-Van't Hoff equation and Jouyban-Apelblat equation. The solubility of the Mifepristone in eight pure solvents and mixed solvents increased as the temperature increased. The calculated values by using the modified Apelblat equation, Van't Hoff equation, h equation, NRTL equation, UNIQUAC
Compounds
# Formula Name
1 C29H35NO2 mifepristone
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C3H6O acetone
8 C4H8O2 ethyl acetate
9 C4H8O tetrahydrofuran
10 H2O water
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
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 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
  • gravimetric
  • 10
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 2
  • 10
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 10; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 100