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

Solubility Measurement and Thermodynamic Modeling of Benzoic Acid in Monosolvents and Binary Mixtures

Sandeepa, Kadakanchi, Kumar, Kosuru Ravi, Neeharika, Tulasi S. V. R., Satyavathi, Bankupalli, Thella, Prathap Kumar
J. Chem. Eng. Data 2018, 63, 6, 2028-2037
ABSTRACT
The solid-liquid equilibrium of benzoic acid has been determined in six mono-solvents tributyl phosphate, diacetone alcohol, methyl-n-propyl ketone, methyl acetate, amyl acetate and isooctane at temperatures from 283.15 to 328.15 K and five binary systems ethanol + hexane (283.15 to 328.15 K), isopropyl alcohol + hexane and chloroform + hexane (283.15 to 323.15 K), acetone + hexane (278.15 to 318.15 K) and acetone + water (283.15 to 318.15 K) at atmospheric pressure with varying mole fraction of the binary mixture. The solubility was estimated by three different methods titrimetry, gravimetry and high-pressure liquid chromatography methods. The solubility of benzoic acid was found to increase with an increase in temperature and mole fraction. Experimental solubility data was correlated with various thermodynamic models such as Buchowski equation, NRTL model, modified Apelblat-JouybanAcree model. The mathematical models demonstrated that the calculated and experimental solubilities of benzoic acid in the solvents were in good agreement.
Compounds
# Formula Name
1 C7H6O2 benzoic acid
2 C12H27O4P tributyl phosphate
3 C8H18 2,2,4-trimethylpentane
4 C6H12O2 4-hydroxy-4-methylpentan-2-one
5 C5H10O pentan-2-one
6 C3H6O2 methyl ethanoate
7 C7H14O2 pentyl ethanoate
8 C2H6O ethanol
9 C3H8O propan-2-ol
10 CHCl3 trichloromethane
11 C6H14 hexane
12 C3H6O acetone
13 H2O water
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
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 10
  • POMD
  • 1
  • 8
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 90
  • POMD
  • 1
  • 9
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 80
  • POMD
  • 1
  • 10
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 80
  • POMD
  • 1
  • 12
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 70
  • POMD
  • 1
  • 12
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 63
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 8
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 8
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 7
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetry, HPLC, and titration
  • 7