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

Solubility and Speciation of Ketoprofen and Aspirin in Supercritical CO2 by Infrared Spectroscopy

Champeau, M.[Mathilde], Thomassin, J.-M.[Jean-Michel], Jerome, C.[Christine], Tassaing, T.[Thierry]
J. Chem. Eng. Data 2016, 61, 2, 968-978
ABSTRACT
The solubility of ketoprofen and aspirin in subcritical and supercritical CO2 was measured using FTIR absorption spectroscopy in the large range of temperature of 298.2 353.2 K and pressure of 5 35 MPa. The evolution of the solubility of both active pharmaceutical ingredients (APIs) was fitted using the Chrastil s equation. In addition, the speciation of both APIs in monomeric and dimeric forms was explored by analyzing the characteristic carbonyl stretching vibrations of the carboxylic acid functions assigned to the dimers and monomers, respectively. Moreover, the evolution of the dimerization constant K of the two drugs as a function of the temperature and the pressure of scCO2 has been reported.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C9H8O4 2-acetoxybenzoic acid
3 C16H14O3 ketoprofen
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
  • 3
  • Mole fraction - 3 ; 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 - 3
  • FTIR absorption spectroscopy
  • 25
  • 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
  • FTIR absorption spectroscopy
  • 31