ABSTRACT

Experimental solubilities of three benzodiazepines (chlordiazepoxide, diazepam, and lorazepam) in ethanol + water mixtures at 303.2 K are reported. The solubility of drugs was increased with the addition of ethanol and reached the maximum value of a volume fraction of 90 % of ethanol. The Jouyban-Acree model was used to fit the experimental data, and the solubilities were reproduced using previously trained version of the Jouyban-Acree model and the solubility data in monosolvents in which the overall mean relative deviations (OMRDs) of the models were 8.6 %, 21.9 % and 19.3 %, respectively, for the fitted model, the trained version for ethanol + water mixtures and generally trained version for various organic solvents + water mixtures.

Compounds

#	Formula	Name
1	C16H14ClN3O	7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
2	C16H13ClN2O	7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
3	C15H10Cl2N2O2	lorazepam
4	C2H6O	ethanol
5	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 5	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	OTHER::sMethod:UV-Vis spectrophotometer	1
POMD	1 4	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	OTHER::sMethod:UV-Vis spectrophotometer	1
POMD	2 5	Mole fraction - 2 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 2	OTHER::sMethod:UV-Vis spectrophotometer	1
POMD	4 2	Mole fraction - 2 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 2	OTHER::sMethod:UV-Vis spectrophotometer	1
POMD	3 5	Mole fraction - 3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 3	OTHER::sMethod:UV-Vis spectrophotometer	1
POMD	4 3	Mole fraction - 3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 3	UV-Vis spectrophotometer	1
POMD	1 4 5	Mass density, kg/m3 ; Liquid	Solvent: Volume fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	Pycnometric method	11
POMD	1 4 5	Mole fraction - 1 ; Liquid	Solvent: Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	UV-Vis spectrophotometer	11
POMD	4 2 5	Mass density, kg/m3 ; Liquid	Solvent: Volume fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 4	Pycnometric method	11
POMD	4 2 5	Mole fraction - 2 ; Liquid	Solvent: Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 2	UV-Vis spectrophotometer	11
POMD	4 3 5	Mass density, kg/m3 ; Liquid	Solvent: Volume fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 3	Pycnometric method	11
POMD	4 3 5	Mole fraction - 3 ; Liquid	Solvent: Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 3	UV-Vis spectrophotometer	11

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

Solubility of Chlordiazepoxide, Diazepam, and Lorazepam in Ethanol + Water Mixtures at 303.2 K

Jouyban, A.[Abolghasem], Shokri, J.[Javad], Barzegar-Jalali, M.[Mohammad], Hassanzadeh, D.[Davoud], Acree, Jr., W. E.[William E.], Ghafourian, T.[Taravat], Nokhodchi, A.[Ali]

ABSTRACT