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

Determination and Modeling of the Solubility of 2,4-Dimethoxybenzoic Acid in Six Pure and Isopropanol + Ethyl Acetate Mixed Organic Solvents at Temperatures From (288.15 to 323.15) K

Tian, Y.[Yuanming], Li, J.[Jinhuan], Wu, B.[Bin], Zhang, Y.[Yuqiang], Tang, H.[Hongjian], Li, Q.[Qunsheng]
J. Chem. Eng. Data 2015, 60, 4, 1098-1105
ABSTRACT
In our experiment, a dynamic method was taken to measure the solubilities of the 2,4-dimethoxybenzoic acid under atmospheric pressure (p = 0.1 MPa) in ethanol, n-propanol, isopropanol, n-butanol, isobutanol, and ethyl acetate as well as in the isopropanol + ethyl acetate mixtures from (288.15 to 323.15) K. The experiment results have proved that the rising temperature leads to increased solubility of the 2,4-dimethoxybenzoic acid in all selected solvents. The changing model parameters in each selected solvent was recorded and calculated, respectively, during the experiments and the solid liquid equilibrium data in pure and mixed solvents was correlated with a series equations, including the modified Apelblat equation, Wilson equation, UNIQUAC equation, and the Jouyban Acree. During the study, the computational values were in good agreement with the experimental results according to the calculations based on all selected equations, however the modified Apelblat equation stood out to be the most suitable with the most accuracy. In addition, some thermodynamic parameters of the solution of 2,4-dimethoxybenzoic acid including dissolution enthalpy (?Hsol), entropy (?Ssol) and the Gibbs energy (?Gsol) were obtained via the van t Hoff analysis. The positive values of?Hsol and?Gsol indicated that the dissolution process of dissolving 2,4-dimethoxybenzoic acid is endothermic.
Compounds
# Formula Name
1 C9H10O4 2,4-dimethoxybenzoic acid
2 C2H6O ethanol
3 C3H8O propan-1-ol
4 C3H8O propan-2-ol
5 C4H10O butan-1-ol
6 C4H10O 2-methyl-1-propanol
7 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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring dynamic method
  • 8
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring dynamic method
  • 8
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring dynamic method
  • 8
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring dynamic method
  • 8
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring dynamic method
  • 8
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring dynamic method
  • 8
  • POMD
  • 4
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring dynamic method
  • 36