ABSTRACT

The solubility of isoniazid (INH) in eight pure solvents (water, methanol, ethanol, n-propanol, i-propanol, DMF, ethyl acetate, and acetonitrile) and three binary solvent mixtures of methanol-water, ethanol-water, and i-propanol-water were experimentally determined by gravimetric method at temperatures ranging from (283.15 to 323.15) K. Expectedly, the solubility displays temperature dependence, and the most remarkable change was found in water. In all three binary solvent mixtures, INH solubility bears a maximum at 0.2-0.4 mole fraction of alcohols, and the maximum solubility values were found varying with temperature. The experimental solubility data was well correlated by the modified Apelblat, van't Hoff, CNIBS/R-K, and Apel-JA equations. Among these models, the modified Apelblat model produces the best fitting results.

Compounds

#	Formula	Name
1	C6H7N3O	isonicotinic acid hydrazide
2	CH4O	methanol
3	C2H6O	ethanol
4	C3H8O	propan-1-ol
5	C3H7NO	dimethylformamide
6	C4H8O2	ethyl acetate
7	C2H3N	acetonitrile
8	H2O	water
9	C3H8O	propan-2-ol
10	C7H8N4O2	3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

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	Triple point temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1 8	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 2	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 3	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 4	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 9	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 5	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 6	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 7	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 2 8	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	99
POMD	1 3 8	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	99
POMD	1 9 8	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 9; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	99
POMD	10 2	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	3
POMD	10 3	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	3

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

Solubility and Data Correlation of Isoniazid in Different Pure and Binary Mixed Solvent Systems from 283.15 K to 323.15 K

Gong, Tingting, Han, Dandan, Chen, Yifu, Wang, Shuo, Tang, Weiwei

ABSTRACT