Measurement and Correlation of Paeonol Solubility in Supercritical Carbon Dioxide

Abstract

Paeonol shows a wide range of pharmacological activities in the pharmaceutical industry. In this study, the solubility of paeonol in supercritical carbon dioxide (ScCO2) is determined by measuring the cloud-point pressures of the binary system in a high-pressure variable-volume view cell at various temperatures (i.e., 313.2, 318.2, 323.2, 328.2, 333.2 K) and pressure range of 8–15 MPa. The results show that paeonol has good solubility in ScCO2, and the solubility increases obviously with decreasing temperature and increasing pressure in the experimental range. Then, four density-based models, namely, Bartle, Méndez-Santiago and Teja, Ch and Madras, and Gordillo, are employed to correlate and predict the solubility data. The relevant average absolute relative deviation values of Bartle, Méndez-Santiago and Teja, Ch and Madras, and Gordillo are 9.05, 9.37, 8.75, and 8.49%, respectively, indicating that the models can well predict the solubility data.

Prediction of Drug-like Compounds Solubility in Supercritical Carbon Dioxide: A Comparative Study between Classical Density Functional Theory and Machine Learning Approaches

“…The experimental data on the solubility of solid solutes in supercritical carbon dioxide was collected from a wide range of literature sources. ,,− …”