Measurement and modeling of clemastine fumarate (antihistamine drug) solubility in supercritical carbon dioxide

The solubilities of clemastine fumarate in supercritical carbon dioxide (ScCO₂) were measured for the first time at temperature (308 to 338 K) and pressure (12 to 27 MPa). The measured solubilities were reported in terms of mole faction (mol/mol total) and it had a range from 1.61 × 10^-6 to 9.41 × 10^-6. Various models were used to correlate the data. The efficacy of the models was quantified with corrected Akaike's information criterion (AICc). A new cluster salvation model was derived to correlate the solubility data. The new model was able to correlate the data and deviation was 10.3% in terms of average absolute relative deviation (AARD). Furthermore, the measured solubilities were also correlated with existing K.-W. Chen et al., model, equation of state model and a few other density models. Among density models, Reddy and Garlapati model was observed to be the best model and corresponding AARD was 7.57% (corresponding AIC_c was - 678.88). The temperature independent Peng-Robinson equation of state was able to correlate the data and AARD was 8.25% (corresponding AIC_c was - 674.88). Thermodynamic parameters like heats of reaction, sublimation and solvation of clemastine fumarate were calculated and reported.