Solubility of 1,3-dimethyl-7H-purine-2,6-dione (theophylline) in supercritical carbon dioxide. http://dx.doi.org/10.1021/je900099m

Abstract

This contribution provides complementary experimental data of solubility (y2, molar fraction) of solid 1,3-dimethyl-7H-purine-2,6-dione (theophylline) in supercritical CO2 as a function of temperature (313 K ≤ T ≤ 333 K) and pressure (10 MPa ≤ P ≤ 44 MPa). A static-analytic methodology was used with standard deviations from average solubility measurements of ≤ 38 %, and with estimated inherit errors ≤ 25 %. The solubility of theophylline increased with the CO2 density from 0.33×10-5 mol/mol at 797.2 kg/m3 (313 K, 16 MPa) to 3.3×10-5 mol/mol at 890.2 kg/m3 (333 K, 40 MPa). The solubility increased with pressure and temperature. Experimental solubilities were correlated with a density-based model with three adjustable parameters, which was valid for solvent densities in the range of 400-950 kg/m3.