ABSTRACT

The solubility of 11a,17a-dihydroxy-4-pregnene-3,20-dione in six pure solvents and two binary solvent mixtures was experimentally determined within the temperature range from 278.15 K to 313.15 K by using a synthetic method. The Modified Apelblat model, kh model, Van t Hoff model and the two Local composition models of Wilson model and NRTL model were used to correlate the experimental solubility in the pure solvents. The Modified Apelblat model, the CNIBS/R-K model and Jouyban-Acree model were successfully used to correlate the solubility in two sets of binary solvent mixtures. The results reveal that the solubility of 11a,17a-dihydroxy-4-pregnene-3,20-dione increases with increasing temperature in all solvents selected. In addition, the dissolution thermodynamic properties of 11a,17a-dihydroxy-4-preg nene-3,20-dione in different solvents were also calculated based on the NRTL model and experimental solubility.

Compounds

#	Formula	Name
1	C21H30O4	11.alpha.,17-dihydroxyprogesterone
2	CH4O	methanol
3	C3H8O	propan-1-ol
4	C3H6O	acetone
5	C3H7NO	dimethylformamide
6	CHCl3	trichloromethane
7	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	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1 7	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Titration method	8
POMD	2 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Titration method	8
POMD	3 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Titration method	8
POMD	4 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Titration method	8
POMD	5 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Titration method	8
POMD	6 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Titration method	8
POMD	2 1 7	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 7; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Titration method	64
POMD	4 1 7	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 7; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Titration method	88

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Determination and correlation of solubility of 11alpha,17alpha-dihydroxy-4-pregnene-3,20-dione in different solvents

Hu, X.[Xiaoxue], Huang, X.[Xin], Li, W.[Wenpeng], Zhou, F.[Fuli], Huang, Q.[Qiaoyin], Hou, B.[Baohong], Hao, H.[Hongxun]

ABSTRACT