Thermodynamics Research Center, ThermoML : Thermochimica Acta

Experimental solubility of clotrimazole and some thermodynamic aspects of dissolution in different solvents

Blokhina, Svetlana, Sharapova, Angelica, Ol'khovich, Marina, Perlovich, German
Thermochim. Acta 2019, 682, 178431
ABSTRACT
Equilibrium solubility of clotrimazole, an important antimycotic drug, was measured between (293.15-313.15) K in four pharmaceutically relevant solvents including buffer pH 2.0, buffer pH 7.4, hexane and 1-octanol. The experimental solubility results were correlated by modified Apelblat and van't Hoff equations. The compound melting temperature and enthalpy were determined. The activity coefficients at infinite dilution of clotrimazole in each solvent were calculated from experimental data on solubility and thermophysical properties. Substitution aqueous solvents for organic ones leads to lower activity coefficients and higher solubility of the drug. The limiting partial molar excess enthalpies, entropies and Gibbs energies of clotrimazole were evaluated.
Compounds
# Formula Name
1 C22H17ClN2 1-((2-chlorophenyl)diphenylmethyl)-1H-imidazole
2 C8H18O octan-1-ol
3 C6H14 hexane
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometry
  • 5
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometry
  • 5