Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility of benzoic acid in acetone, 2-propanol, acetic acid and cyclohexane: Experimental measurement and thermodynamic modeling

Long, B.[Bingwen], Li, J.[Jing], Zhang, R.[Rongrong], Wan, L.[Li]
Fluid Phase Equilib. 2010, 297, 1, 113-120
ABSTRACT
In this study the solubility of benzoic acid in acetone, 2-propanol, acetic acid and cyclohexane was experimentally determined over the temperature range of (277 to 346) K at around 5 K intervals by employing a gravimetric method. The experimental results showed that acetone had the best solubility for benzoic acid followed by 2-propanol, acetic acid and cyclohexane and the solubility in acetic acid had the strongest positive temperature dependency. The newly measured solubility data was also compared with the available literature data. Several commonly used thermodynamic models, including the empirical Van t Hoff equation, the lambda-h equation, the Wilson, NRTL and UNIQUAC equations, were applied to correlate the experimental solubility data. The adjustable parameters for each model were optimized by fitting the solubility data measured in this work. It was found that the three-parameter NRTL equation could give the best correlation results. Better predictions of the solubility of benzoic acid in acetic acid at higher temperature were observed using the Wilson and UNIQUAC equations than the other three equations which all gave underestimations.
Compounds
# Formula Name
1 C7H6O2 benzoic acid
2 C3H6O acetone
3 C3H8O propan-2-ol
4 C2H4O2 acetic acid
5 C6H12 cyclohexane
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
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 13
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 11
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 14
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 12