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

Solubility of 3,5-Dinitrobenzoic Acid in Supercritical Carbon Dioxide with Cosolvent at Temperatures from (308 to 328) K and Pressures from (10.0 to 21.0) MPa

Tang, Z.[Zhao], Jin, J.-s.[Jun-su], Zhang, Z.-t.[Ze-ting], Yu, X.-y.[Xiang-yun], Xu, J.-n.[Jing-nian]
J. Chem. Eng. Data 2010, 55, 9, 3834-3841
ABSTRACT
The solid solubility of 3,5-dinitrobenzoic acid in supercritical carbon dioxide with cosolvent, ethanol, ethyl acetate, n-propanol, and ethylene glycol was measured using a flow-type apparatus at temperatures from (308 to 328) K and in the pressure range of (10.0 to 21.0) MPa. The mole fraction of cosolvent was 0.015, 0.035, and 0.055, respectively. The experimental results showed that the equilibrium solubility of 3,5-dinitrobenzoic acid can be effectively enhanced in the presence of all cosolvents. A semiempirical model, the Sovova model, was modified by adding a function of temperature (T). The accuracy of the modified Sovova model was tested and verified by the solubility data of 17 kinds of solid compounds from the literature. In addition, the modified Sovova model was successfully used to correlate the experimental solubility data of 3,5-dinitrobenzoic acid in supercritical carbon dioxide with different cosolvents, and the average absolute relative deviation (AARD) ranged from (2.2 to 8.8) %.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C7H4N2O6 3,5-dinitrobenzoic acid
3 C2H6O ethanol
4 C4H8O2 ethyl acetate
5 C3H8O propan-1-ol
6 C2H6O2 1,2-ethanediol
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
  • 1
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • ultraviolet spectrophotometer analysis
  • 15
  • POMD
  • 3
  • 2
  • 1
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Mole fraction - 3; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • ultraviolet spectrophotometer analysis
  • 5
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Mole fraction - 4; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • ultraviolet spectrophotometer analysis
  • 30
  • POMD
  • 2
  • 6
  • 1
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Mole fraction - 6; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • ultraviolet spectrophotometer analysis
  • 5
  • POMD
  • 5
  • 2
  • 1
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Mole fraction - 5; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • ultraviolet spectrophotometer analysis
  • 5