Thermodynamics Research Center / ThermoML | Thermochimica Acta

Solubility of N-(4-chlorophenyl)-2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide in PEG 400 + water co-solvent mixtures at 298.15 K to 338.15 K

Bhat, M. A.[Mashooq A.], Haq, N.[Nazrul], Shakeel, F.[Faiyaz]
Thermochim. Acta 2014, 589, 235-240
ABSTRACT
The solubility of N-(4-chlorophenyl)-2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide (isoniazid analogue) in mono-solvents [water and polyethylene glycol 400 (PEG 400)] and various PEG 400 + water co-solvent mixtures was measured from (298.15 to 338.15) K using the shake flask method. The experimental solubilities were correlated with Apelblat equation and log-linear model of Yalkowsky. The root mean square deviations were observed in the range of 0.007 to 0.052 for Apelblat equation. However, the mean absolute errors were observed in the range of (0.36 to 4.94) % for loglinear model of Yalkowsky. Experimental solubilities of isoniazid analogue were correlated well with Apelblat equation and Yalkowsky model. The solubility of isoniazid analogue was observed highest and lowest in pure PEG 400 (0.108 at 298.15 K) and pure water (5.17 * 10-7 at 298.15 K), respectively. Based on solubility results, isoniazid analogue has been considered as freely soluble in PEG 400 and practically insoluble in water. The solubility data of this study could be useful in formulation development of isoniazid analogue in pharmaceutical industries.
Compounds
# Formula Name
1 C13H11ClN4OS N-(4-chlorophenyl)-2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide
2 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
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 5