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

Cosolvency and Mathematical Modeling Analysis of Chloroxine in Some Binary Solvent System

Shi, Hongwei, Xie, Yong, Xu, Jigui, Zhang, Xiaojie, Wang, Hongyan
J. Chem. Eng. Data 2018, 63, 9, 3353-3359
ABSTRACT
The mole fraction solubilities of chloroxine in binary mixtures of ethyl acetate + (methanol, ethanol, n-propanol and isopropanol) were measured by the isothermal dissolution equilibrium method in the temperature range of (283.15-333.15) K at pressure of 1 atm. The solubility data is positively increased with increasing temperature at a given solvent composition and decreased with the increasing mass fraction of alcohol in each binary system, and the maximum solubility was found in neat ethyl acetate. Given the same temperature and mass fraction of ethyl acetate, the solubility of chloroxine was greater in (methanol + ethyl acetate) than in the other three solution mixtures. Several mathematical models i.e. the Jouyban-Acree model, Van't Hoff-Jouyban-Acree model and Apelblat-Jouyban-Acree model were adopted to correlate the measured solubility values. As a result, the calculated data are in alignment to measured values at evaluated temperatures and RAD (x10-2) and RMSD (x10-4) data were no more than 3.49 and 0.94, respectively. The solid phase
Compounds
# Formula Name
1 C9H5Cl2NO 5,7-dichloro-8-hydroxyquinoline
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 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
  • 6
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 121
  • POMD
  • 1
  • 6
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 121
  • POMD
  • 1
  • 6
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 121
  • POMD
  • 1
  • 6
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 121
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 11
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 11
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 11
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 11