Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

High-pressure phase diagram of the drug mitotane in compressed and/or supercritical CO2

Favareto, R.[Rogerio], Pereira, J. R. D.[Jose R.D.], Santana, C. C.[Cesar Costapinto], Madureira, E. H.[Ed H.], Cabral, V. F.[Vladimir F.], Tavares, F. W.[Frederico W.], Cardozo-Filho, L.
J. Chem. Thermodyn. 2010, 42, 2, 286-290
ABSTRACT
This work provides experimental phase diagram of mitotane, a drug used in the chemotherapy treatment of adrenocortical carcinoma, in compressed and/or supercritical CO2. The synthetic-static method in a high-pressure variable-volume view cell coupled with a transmitted-light intensity probe was used to measure the solid-fluid (SF) equilibrium data. The phase equilibrium experiments were determined in temperature ranging from (298.2 to 333.1) K and pressure up to 22 MPa. Peng Robinson equation of state (PR-EoS) with classical mixing rule was used to correlate the experimental data. Excellent agreement was found between experimental and calculated values.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C10H8 naphthalene
3 C12H10 biphenyl
4 C14H10Cl4 1,1-dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane
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
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • 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
  • Synthetic-Static method
  • 10
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 3
  • Synthetic-Static method
  • 4
  • POMD
  • 4
  • 1
  • 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
  • Synthetic-Static method
  • 19