ABSTRACT

The solubilities of flutamide, dutasteride, and finasteride in supercritical carbon dioxide were investigated at temperatures of (308.0, 318.0, 328.0, 338.0, and 348.0) K and various pressures in the range of (12.1 to 35.5) MPa. The measured results were then correlated using semiempirical equations presented by Chrastil and Bartle. With optimally fitted parameters, the average absolute relative deviations (AARD) ranged from 0.122 to 0.260 and from 0.024 to 0.137 for Chrastil and Bartle models, respectively. The heat of drug-CO2 solvation and that of drug vaporization were approximated in the range of (-17.4 to -16.8) kJ*mol-1 and (73.7 to 90.1) kJ*mol-1, respectively.

Compounds

#	Formula	Name
1	C11H11F3N2O3	flutamide
2	C27H30F6N2O2	dutasteride
3	C23H36N2O2	finasteride
4	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	Phase	Method	#Points
POMD	1	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	2	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	3	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	4 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	Spectroscopy	45
POMD	4 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	Spectroscopy	26
POMD	4 3	Mole fraction - 3 ; 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 - 3	Spectroscopy	26

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

Solubilities of Flutamide, Dutasteride, and Finasteride as Antiandrogenic Agents, in Supercritical Carbon Dioxide: Measurement and Correlation

Yamini, Y.[Yadollah], Kalantarian, P.[Pardis], Hojjati, M.[Mohammad], Esrafily, A.[Ali], Moradi, M.[Morteza], Vatanara, A.[Alireza], Harrian, I.[Ismaeil]

ABSTRACT