Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and correlation for the solubilities of cinnarizine, pentoxifylline, and piracetam in supercritical carbon dioxide

Lee, C.-A.[Chen-An], Tang, M.[Muoi], Chen, Y.-P.[Yan-Ping]
Fluid Phase Equilib. 2014, 367, 182-187
ABSTRACT
The equilibrium solubility of cinnarizine, pentoxifylline, and piracetam in supercritical carbon dioxide (SCCO2) were experimentally measured using a semi-flow apparatus. These compounds are active pharmaceutical ingredients (APIs) that are applied as circulatory improvers. Solid solubility data for three binary mixtures of CO2 with each API were determined at three isotherms of 308.15, 318.15 and 328.15 K. The experimental pressure range was from 12 to 24 MPa. The solubility of cinnarizine in SCCO2is from 0.29 * 10-5to 2.05 * 10-4mole fraction in this pressure range. The solubilities of pentoxifylline and piracetam are from 0.3 * 10-4to 1.37 * 10-3, and from 0.75 * 10-5to 3.73 * 10-5mole fraction, respectively. We applied three semi-empirical models presented by Mendez-Santiago and Teja, Chrastil, and Bartle to correlate our measured solubility data. The average absolute relative deviation (AARD) in solid solubility correlation is from 5 to 7% using these models. Our measured data satisfied the self-consistency tests. The optimally fitted model parameters as well as the crossover region results for each binary mixture are reported.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C6H10N2O2 2-oxo-1-pyrrolidineacetamide
3 C13H18N4O3 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
4 C26H28N2 cinnarizine
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • 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
  • 21
  • 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 spectrophotometry
  • 21
  • POMD
  • 1
  • 4
  • Mole fraction - 4 ; 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 - 4
  • UV/Vis spectrophotometry
  • 21