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

Solubility of Rofecoxib in the Presence of Mannitol, Poly(vinylpyrrolidone) K30, Urea, Polyethylene Glycol 4000, and Polyethylene Glycol 6000 at (298.15, 303.15, and 308.15) K

Liu, C.[Chengsheng], Desai, K. G. H.[Kashappa Goud H.], Liu, C.[Chenguang]
J. Chem. Eng. Data 2005, 50, 2, 661-665
ABSTRACT
The present study investigated the solubilization of rofecoxib in aqueous solution using mannitol, poly(vinylpyrrolidone) K30, urea, poly(ethylene glycol) 4000, and poly(ethylene glycol) 6000 at (298.15, 303.15, and 308.15) K. The analysis of rofecoxib is carried out by high-performance liquid chromatography (HPLC). The aqueous solubility of rofecoxib could be enhanced by the addition of increasing mass fraction of all of the hydrophilic carriers tested except mannitol as well as by increasing the temperature of the dissolution medium. Among the hydrophilic carriers studied, urea exhibited a higher solubilization potential than the other carriers. Calculated Gibbs free energy values were all negative for all of the hydrophilic carriers + water mixtures at (298.15, 303.15, and 308.15) K, indicating the spontaneous nature of rofecoxib solubilization. In the case of urea + water mixtures, the trG values decreased to a greater extent than those for the other carriers (mannitol, poly(vinylpyrrolidone) K30, poly(ethylene glycol) 4000, and poly(ethylene glycol) 6000) + water mixtures, indicating that the reaction conditions were more favorable in urea + water mixtures than in other carriers + water mixtures.
Compounds
# Formula Name
1 H2O water
2 C17H14O4S rofecoxib
3 C6H14O6 mannitol
4 CH4N2O urea
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
  • Mass concentration, kg/m3 - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 3
  • POMD
  • 3
  • 1
  • 2
  • Mass concentration, kg/m3 - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 15
  • POMD
  • 4
  • 1
  • 2
  • Mass concentration, kg/m3 - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 15