Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solid-liquid phase equilibrium and ternary phase diagrams of ethenzamide-saccharin cocrystals in different solvents

Tong, Y.[Yao], Wang, Z.[Zhanzhong], Dang, L.[Leping], Wei, H.[Hongyuan]
Fluid Phase Equilib. 2016, 419, 24-30
ABSTRACT
The phase equilibrium for ethenzamide (EA) and saccharin (SAC) in ethanol, isopropanol and ethyl acetate were determined at 298.15 and 308.15 K under atmospheric pressure in this work. In ethanol and isopropanol, the two solutes dissolve incongruently and the diagrams are asymmetric, so excessive EA is required to isolate cocrystals. However in ethyl acetate, EA and SAC exhibit similar dissolution behavior, resulting in larger and more symmetric regions for EA-SAC cocrystal, which would be beneficial to enhance the control of EA-SAC cocrystallization process. In addition, the solubility of EA-SAC cocrystal was correlated by using a mathematical model based on both solubility product and solution complexation. The solubility of EA-SAC cocrystal as a function of SAC concentrationwas calculated. These new findings are of great importance to control the cocrystallization process of EA-SAC.
Compounds
# Formula Name
1 C2H6O ethanol
2 C7H5NO3S 1,2-benzoisothiazolin-3-one 1,1-dioxide
3 C9H11NO2 Ethenzamide
4 C3H8O propan-2-ol
5 C4H8O2 ethyl acetate
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
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 8
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Chromatography
  • 2
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 2
  • Chromatography
  • 8
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 3
  • Chromatography
  • 2
  • POMD
  • 4
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 8
  • POMD
  • 4
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Chromatography
  • 8
  • POMD
  • 4
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Chromatography
  • 2
  • POMD
  • 4
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 3
  • Chromatography
  • 2
  • POMD
  • 4
  • 2
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 2
  • Chromatography
  • 7
  • POMD
  • 2
  • 5
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 2
  • Chromatography
  • 9
  • POMD
  • 2
  • 5
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Chromatography
  • 2
  • POMD
  • 2
  • 5
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 3
  • Chromatography
  • 2
  • POMD
  • 2
  • 5
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 8
  • POMD
  • 2
  • 5
  • 3
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Chromatography
  • 8