Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Determination and correlation of terephthaldialdehyde solubility in (ethanol, isopropanol, ethyl acetate, isopentanol) + N,Ndimethylformamide mixed solvents at temperatures from 273.15 K to 318.15 K

Wang, J.[Jian], Xu, A.[Anli], Xu, R.[Renji]
J. Chem. Thermodyn. 2017, 105, 327-336
ABSTRACT
In this work, the solubility of terephthaldialdehyde in mono-solvent of ethyl acetate and binary solvent mixtures of (ethanol + N,N-dimethylformamide), (isopropanol + N,N-dimethylformamide), (ethyl acetate + N,N-dimethylformamide) and (isopentanol + N,N-dimethylformamide) were investigated by the isothermal dissolution equilibrium method under 101.1 kPa. This study was carried out at different mass fractions of ethanol, isopropanol, or isopentanol ranging from 0.1 to 0.9; and of ethyl acetate, from 0.1 to 1 at T = (273.15-318.15) K. For the solubility of each solvent mixture studied, the mole fraction solubility of terephthaldialdehyde in mixed solutions increased with increasing temperature and mass fraction of ethanol, isopropanol, ethyl acetate or isopentanol for the four systems of (ethanol + N,N-dimethylformamide), (isopropanol + N,N-dimethylformamide), (ethyl acetate + N,N-dimethylformamide) and (isopentanol + N, N-dimethylformamide). At the same temperature and mass fraction of ethanol, isopropanol, ethyl acetate or isopentanol, the mole fraction solubility of terephthaldialdehyde in (ethyl acetate + N,Ndimethylformamide) was greater than that in the other three systems. In addition, five models (Jouyban Acree model, van t Hoff Acree model, modified Apelblat Acree model, Sun model and CNIBS/ R-K model) were employed to correlate the experimental solubility data. The Jouyban Acree model gave best representation of the experimental solubility values. Furthermore, the standard molar enthalpy of terephthaldialdehyde dissolving in these mixed solvents (DsolHo) was calculated in this work, and the results showed that the dissolution process was endothermic.
Compounds
# Formula Name
1 C8H6O2 terephthalic aldehyde
2 C2H6O ethanol
3 C3H8O propan-2-ol
4 C5H12O 3-methylbutan-1-ol
5 C4H8O2 ethyl acetate
6 C3H7NO dimethylformamide
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
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 90
  • POMD
  • 3
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 90
  • POMD
  • 6
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 100
  • POMD
  • 6
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 90
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10