Thermodynamics Research Center / ThermoML | Thermochimica Acta

Solubility of megestrol acetate and levonorgestrel in supercriticalcarbon dioxide

Yamini, Y.[Yadollah], Tayyebi, M.[Moslem], Moradi, M.[Morteza], Vatanara, A.[Alireza]
Thermochim. Acta 2013, 569, 48-54
ABSTRACT
The solubilities of two estrogenic drugs so called levonorgestrel and megestrol acetate were measuredin supercritical carbon dioxide (SC-CO2) medium. The temperatures and pressures of experiments werein the range of (308 338) K and (12.2 35.5) MPa, respectively. The solubilities mole fraction ranged from4.30 * 10-6to 8.70 * 10-4. Under miscellaneous pressures and temperatures conditions, four densitybased models (Chrastil, modified Chrastil, Bartle and Mendez-Santiago and Teja (M T)) were appliedin order to predict the mentioned drugs solubilities in SC-CO2medium. Comparing three above mod-els, it was showed that the best results of the solubilities data are M T model with an overall averageabsolute relative deviation (AARD) of 0.062 for levonorgestrel and the modified Chrastil with an overallAARD of 0.097 for megestrol acetate. The heat of drug-CO2solvation and that of drug vaporization wasapproximated in the range of (-10.37 to -13.76) and (64.6 67.9) kJ/mol.
Compounds
# Formula Name
1 C21H28O2 Levonorgestrel
2 C24H32O4 Megestrol acetate
3 CO2 carbon dioxide
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
  • 3
  • 1
  • Mole fraction - 1 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • Phase equilibration
  • 36
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • Phase equilibration
  • 36