The application of this data purification procedure, illustrated using naphthalene as an example (Figure , Supplementary Materials), resulted in a final dataset comprising 30,771 data points across 1,065 compounds. The adherence to these preprocessing criteria aimed to optimize the dataset for enhanced reliability in predictive modeling and meaningful analytical insights. The complete dataset included only the solubility data of pure compounds in subcritical and supercritical CO 2 , excluding any systems with cosolvents. For further analysis, two distinct subsets were derived. First, data corresponding to solubilities measured under subcritical CO 2 conditions specifically at temperatures below 304.3 K and pressures below 73.9 bar were excluded. The resulting subset was designated as the "scCO 2 dataset."