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

Solubility of 3,4-Dichloronitrobenzene in Methanol, Ethanol, and Liquid Mixtures (Methanol + Water, Ethanol + Water): Experimental Measurement and Thermodynamic Modeling

Hongkun, Z.[Zhao], Hui, X.[Xu], Zhipeng, Y.[Yang], Li, R.[Rong]
J. Chem. Eng. Data 2013, 58, 11, 3061-3068
ABSTRACT
The solubilities of 3,4-dichloronitrobenzene in methanol, ethanol, and liquid mixtures (methanol + water, ethanol + water) were measured in the temperature range of (278.15 to 303.15) K at 101.3 kPa by gas chromatography. The solubility of 3,4-dichloronitrobenzene in the binary mixed solvents increased with both increasing temperature and mass fraction of organic solvents. The measured solubility was correlated by the van t Hoff equation, the modified Apelblat equation, and the ?h equation. The correlated results indicated that the calculated solubility using the modified Apelblat equation had a closer agreement with the experimental data than those using the other two models. According to the measured solubility, the thermodynamic properties of dissolution of 3,4-dichloronitrobenzene, including the Gibbs free energy change of solution, molar enthalpy of dissolution, and molar entropy of dissolution, were calculated by using the modified Apelblat model.
Compounds
# Formula Name
1 C6H3Cl2NO2 3,4-dichloro-1-nitrobenzene
2 CH4O methanol
3 C2H6O ethanol
4 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
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 44
  • POMD
  • 3
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 44
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11