Thermodynamics Research Center / ThermoML | Thermochimica Acta

An association model for the solubilities of pharmaceuticals in supercritical carbon dioxide

Ch, R.[Rajasekhar], Madras, G.[Giridhar]
Thermochim. Acta 2010, 507-508, 99-105
ABSTRACT
The equilibrium solubility of a pharmaceutical compound, 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one (propyphenazone, isopropylantipyrine) in supercritical carbon dioxide (SCCO2) was experimentally determined by a saturation method at 308, 318 and 328 K, over the pressure range of 9.0-19.0 MPa. The solubility data satisfied the self-consistency test, proposed by Mendez-Santiago and Teja. A new association model was derived to correlate the solubilities of pharmaceutical compounds in SCCO2. Solubility data from 54 different pharmaceutical compounds including steroids, antibiotics, anti-inflammatory, antioxidants, statins and specific functional drugs were collected from literature. The model successfully correlated the experimental results for the solubilities of all these compounds in SCCO2 within 12% AARD.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C14H18N2O 4-isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
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
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 18