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

Solubility of Amorphous Clopidogrel Hydrogen Sulfate in Different Pure Solvents

Liu, Y.[Yan], Zhao, Z.-P.[Zhi-Peng], Cui, J.[Jingbin], Ren, G.[Guobin]
J. Chem. Eng. Data 2015, 60, 8, 2442-2446
ABSTRACT
At the temperature range (273.15 to 308.15) K, the solubility of amorphous clopidogrel hydrogen sulfate (CHS) in pure 1-butanol, 2-butanol, 2-propanol, methyl acetate, ethyl acetate, acetone, and methyl tert-butyl ether (MTBE) were experimentally measured. The order of solubility of amorphous CHS is 1-butanol greater than acetone greater than 2-propanol greater than 2-butanol greater than methyl acetate greater than ethyl acetate greater than MTBE, which is in good agreement with the orders of CHS crystalline forms in the literature. However, the solubility of the amorphous ones is dozens of times higher than that of crystals, respectively. In addition, the modified Apelblat equation was used to correlate the temperature with the mole fraction solubility. Finally, the thermodynamic parameters were calculated by the fitting parameters of the modified Van t Hoff equation.
Compounds
# Formula Name
1 C4H10O butan-1-ol
2 C16H18ClNO6S2 (S)-(+)-Clopidogrel hydrogen sulfate
3 C3H6O acetone
4 C3H8O propan-2-ol
5 C4H10O butan-2-ol
6 C3H6O2 methyl ethanoate
7 C4H8O2 ethyl acetate
8 C5H12O 2-methoxy-2-methylpropane
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
  • Crystal 2 - 2
  • Titration method
  • 11
  • POMD
  • 1
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 2
  • Titration method
  • 8
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 2
  • Titration method
  • 8
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 2
  • Titration method
  • 8
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 2
  • Titration method
  • 8
  • POMD
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 2
  • Titration method
  • 8
  • POMD
  • 7
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 2
  • Titration method
  • 8
  • POMD
  • 8
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 2
  • Titration method
  • 8