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

Measurement of the Solubility of Diclazuril and Discussion of the Effect of the Cosolvent

Li, S.[Shasha], Yin, F.[Fan], Rui, D.[Dechao]
J. Chem. Eng. Data 2019, 64, 8, 3585-3591
ABSTRACT
In this research, the solid-liquid equilibrium solubility of diclazuril was measured by isothermal saturation method and the influence of solvent effect on solubility was discussed. In mono-solvents, at the determined temperature, the solubility values of diclazuril decrease according to the order: DMF greater than acetone greater than acetonitrile greater than ethyl acetate greater than methanol greater than ethanol greater than 1-propanol greater than 2-propanol greater than 1-butanol greater than toluene. The solvent effect was discuss, from solvent effect, HBD interaction of the solvent with the solute and nonspecific dipolarity/polarizability interactions are favorable to dissolution, and the nonspecific dipolarity/polarizability interactions had a great contribution to the total solvent effect for the studied mono-solvents. Besides, in two binary solvent mixtures, the solubility increases with the increasing ratio of DMF/acetone, and decrease with the increase of ethanol. What!|s more, five models including modified Apelblat equation, Uh equation, Jouyban-acree model, van!|t Hoff-Jouyban-Acree model and Apelblat-Jouyban-Acree model were used to correlate the diclazuril solubility in mono-solvents and binary solvent mixtures systems, respectively. The RAD and RMSD values were not exceeding 0.97% and 6.95 e10-4, respectively. These all five models can correlate the solubility values of diclazuril very well. Ultimately, the experimental data presented in this study can provide basic data for improving the solubility of diclazuril.
Compounds
# Formula Name
1 CH4O methanol
2 C2H6O ethanol
3 C3H8O propan-1-ol
4 C3H8O propan-2-ol
5 C4H10O butan-1-ol
6 C3H6O acetone
7 C4H8O2 ethyl acetate
8 C2H3N acetonitrile
9 C3H7NO dimethylformamide
10 C7H8 toluene
11 C17H9Cl3N4O2 diclazuril
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
  • 11
  • 1
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 2
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 3
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 4
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 6
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 8
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 7
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 10
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 9
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 5
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 9
  • POMD
  • 11
  • 9
  • 2
  • Mole fraction - 11 ; Liquid
  • Solvent: Mass fraction - 9; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 54
  • POMD
  • 11
  • 6
  • 2
  • Mole fraction - 11 ; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 54