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

Measurement and Modeling of Solid Liquid Equilibrium of para-tert-Butylbenzoic Acid in Acetic Acid/Methanol + Water and Acetic Acid + para-tert-Butyltoluene Binary Systems at Various Temperatures

Kumari, A.[Alka], Sandeepa, K., Kumar, B. N. P. [B. N. Pavan], Kumar, T. P. [T. Prathap], Satyavathi, B.
J. Chem. Eng. Data 2017, 62, 1, 87-95
ABSTRACT
In this work, experimental solubility data of para-tert-butylbenzoic acid in binary solvents of acetic acid + water (293.15 to 333.15) K, methanol + water (293.15 to 328.15) K and acetic acid + para-tert-butyltoluene (293.15 to 323.15) K, were studied over acetic acid/methanol mass fraction, w2 (on solute free basis) of 0.1 to 0.6 at temperatures of 5 K interval. The solubility measurements showed that acetic acid + para-tert-butyltoluene recorded higher solubility than acetic acid/methanol + water for the same mass fraction of acetic acid at each temperature. Moreover, solubility increases with increase in temperature for the studied binary systems and the acetic acid + para-tert-butyltoluene system presents a maximum solubility effect at mass fraction of 0.2 (0.38 mole fraction) of acetic acid. Several thermodynamic models such as Buchowski-Ksiazczak equation, the Van t Hoff equation, the modified Apelblat equation and NRTL model were fitted to the experimental data and the optimum values of the regressed parameters were presented. The results indicate that the Van t Hoff and modified Apelblat equation represent the experimental findings better compared to other models based on the average absolute percentage deviation (aAAPD).
Compounds
# Formula Name
1 C2H4O2 acetic acid
2 C11H14O2 4-(1,1-dimethylethyl)benzoic acid
3 H2O water
4 CH4O methanol
5 C11H16 1-(1,1-dimethylethyl)-4-methylbenzene
6 C2H6O ethanol
7 C7H6O2 benzoic acid
8 C7H8 toluene
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 - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric
  • 54
  • POMD
  • 4
  • 2
  • 3
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric
  • 48
  • POMD
  • 1
  • 5
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric
  • 63
  • POMD
  • 6
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • gravimetric
  • 6
  • POMD
  • 6
  • 7
  • 8
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • gravimetric
  • 6