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

Solubility Determination and Modeling for Artesunate in Binary Solvent Mixtures of Methanol, Ethanol, Isopropanol, and Propylene Glycol + Water

Xu, Renjie, Han, Ting, Shen, Li, Zhao, Jianguo, Lu, Xiang'an
J. Chem. Eng. Data 2019, 64, 2, 755-762
ABSTRACT
Artesunate is dissolved in aqueous solution of several organic solvents (methanol, ethanol, isopropanol and PG), and the mole fraction of artesunate is determined by static method. When the system reaches equilibrium, the range of system temperature is 278.15 318.15 K and the pressure environment is 101.1 kPa. When the temperature is constant, the equilibrium mole fraction of artesunate is proportional to the mass percentage of organic solvents, and the relationship between artesunate solubility and temperature is same as before under certain conditions of the organic solvent component. When the external conditions are the same, artesunate is more likely to dissolve in the ethanol + water mixture than in several other systems. Besides, three classical mixed solvent thermodynamic equations - Jouyban-Acree model, van t Hoff-Jouyban-Acree model and Apelblat-Jouyban-Acree model are applied to calculate the equilibrium mole fraction of artesunate. The maximum value of average relative deviations (ARD) obtained during the calculation is 0.83 %. The experimentally measured data on artesunate has different general meanings for the expansion of application and production in the pharmaceutical field, and provides theoretical data for its industrial production.
Compounds
# Formula Name
1 C19H28O8 artesunate
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-2-ol
5 C3H8O2 1,2-propanediol
6 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
  • 2
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 3
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 4
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 5
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9