Solubility of three natural compounds with insecticidal activity in supercritical carbon dioxide: Experimental measurements and predictive modeling with the GC-EoS

In this work, the solubility of thymoquinone, R-(+)-pulegone and 1-octen-3-ol in supercritical CO2 is determined in a range of conditions typical of supercritical fluid processes such as extraction, fractionation and impregnation. These compounds were selected based in their insecticidal activity which may enable to apply them as biopesticides. Solubility was measured using a semicontinuos method in the temperature range of 45–65 °C and pressure of 8–12 MPa, at a CO2 flowrate of 0.05–0.10 g/min, which was verified to be low enough to ensure saturation. Solubilities were predicted using the Group Contribution Equation of State (GC-EoS) and compared to the experimental results, with a good agreement. Consistency of the data was tested using the density-based Chrastil equation.