ABSTRACT

Solvent screening plays a key role in the optimization of the drug crystallization process based on the solubility data and dissolution thermodynamic data. In this article, the solubility of cefixime trihydrate in ethanol, propan-2-ol, butan-1-ol, butan-2-ol, pentan-1-ol, ethyl acetate, and acetone from 278.15 to 323.15 K at atmospheric pressure is reported. It is found that the solubility of cefixime trihydrate in all seven solvents increases with temperature. The modified Apelblat equation fits well with the experimental solubility data in all selected solvents with the average percent deviation less than 3.5 %. The mixing properties including the mixing free Gibbs energy, enthalpy, and entropy of cefixime trihydrate were calculated based on the van t Hoff equation. The results indicate that the dissolution process of cefixime trihydrate in all tested solvents is endothermic, entropically driven and not spontaneous.

Compounds

#	Formula	Name
1	C16H21N5O10S2	cefixime trihydrate
2	C2H6O	ethanol
3	C3H8O	propan-2-ol
4	C4H10O	butan-1-ol
5	C4H10O	butan-2-ol
6	C5H12O	pentan-1-ol
7	C4H8O2	ethyl acetate
8	C3H6O	acetone

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	Molar volume, m3/mol ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal		Crystal	Pycnometric method	1
POMD	2 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric method	10
POMD	3 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric method	10
POMD	4 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric method	10
POMD	5 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric method	10
POMD	6 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric method	10
POMD	7 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric method	10
POMD	8 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric method	10

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

Determination and Correlation of Solubility Data and Dissolution Thermodynamic Data of Cefixime Trihydrate in Seven Pure Solvents

Zhang, T.[Tianwei], Liu, Q.[Quan], Xie, Z.[Zhiping], Song, X.[Xiaopeng], Gong, J.[Junbo]

ABSTRACT