Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility of norfloxacin and ofloxacin in supercritical carbon dioxide

Chim, R.[Rita], Marceneiro, S.[Sofia], Braga, M. E.[Mara E], Dias, A. M. A.[Ana M.A.], Sousa, H. C. d.[Herminio C. de]
Fluid Phase Equilib. 2012, 331, 6-11
ABSTRACT
This work presents the solid solubility in supercritical carbon dioxide (scCO2) of two fluoroquinolonetype antibacterial drugs, namely norfloxacin and ofloxacin. Experimental data were obtained at 308.2 K, 318.2 K and 328.2 K in a pressure range from 10.0 up to 30.3 MPa using a static analytical method and correlated using density based equations. Equilibrium solubility data (mole fraction) were found to be between 1.4 x 10-6 and 24.4 x 10-6 (for norfloxacin) and 0.4 x 10-6 and 1.3 x 10-6 (for ofloxacin). Experimental data were correlated with density-based models (Mendez-Santiago-Teja, Bartle, Chrastil and Sparks models) with global average absolute relative deviations (AARD) equal to 34% for norfloxacin and 19% for ofloxacin, being the lowest deviations obtained from the Sparks model (27% for norfloxacin and 8.6% for ofloxacin). Those models were not able to correctly describe the dependence of the solubility of norfloxacin with the solvent density and lower deviations are only obtained if temperature dependent parameters are considered (5.0% and 4.3% for norfloxacin and ofloxacin, respectively).
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C18H20FN3O4 ofloxacin
3 C16H18FN3O3 norfloxacin
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
  • UV-Vis spectrophotomery
  • 15
  • POMD
  • 1
  • 2
  • 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
  • UV-Vis spectrophotometry
  • 10