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

Solubility Behavior of 2-Chloro-3- (trifluoromethyl)pyridine in (Ethyl Acetate + n-Butanol, DMF + n-Butanol, DMF + Ethanol) Solvent Mixtures

Zhao, Liqing, Zhang, Bing, Xu, Li
J. Chem. Eng. Data 2019, 64, 3, 1085-1094
ABSTRACT
The solubility of 2-chloro-3-(trifluoromethyl)pyridine in (ethyl acetate + n-butanol, DMF + n-butanol, DMF + ethanol) solvent mixtures was determined by isothermal static method within the temperature scope of (263.15 K to 303.15 K) under 101.3 KPa. The solubility of 2-chloro-3-(trifluoromethyl)pyridine increased with increasing temperature and the mass fraction of ethyl acetate or DMF in the binary solvent systems. Modified Apelblat model, Jouyban-Acree model and Sun model were used to correlate the solubility data of 2-chloro-3-(trifluoromethyl)pyridine in the binary mixtures. The values of RD and RMSD indicated that three models fit the solubility data quite well, and Sun model gave the best correlation of the solubility data in the binary (ethyl acetate + n-butanol, DMF + n-butanol) solvents; Apelblat model gave the best correlation of the solubility data in the binary (DMF + ethanol) solvents.
Compounds
# Formula Name
1 C6H3ClF3N 2-chloro-3-(trifluoromethyl)pyridine
2 C4H8O2 ethyl acetate
3 C4H10O butan-1-ol
4 C3H7NO dimethylformamide
5 C2H6O ethanol
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
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 54
  • POMD
  • 1
  • 4
  • 3
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 54
  • POMD
  • 1
  • 4
  • 5
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 54
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 11
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9