Solubility of CO2 in ionic liquids

Data are provided as

a spreadsheet file in the Open Document Format (ODF), which is a fully open and ISO-standardized file format that guarantees long-term access to data. It contains the 17,317 experimental data. Each sample is characterized by

the [cation][anion] abbreviation,

the temperature (T / K),

pressure (P / bar),

experimental CO2 solubility (xCO2),

a reference DOI (whenever possible, the DOI of the original article, labeled as ORG in the next column),

a field specifying whether the authors reported a capacity (C) or solubility (S) measurement (assumed to be S unless otherwise stated in the article)

the SMILES of the cation and anion,

the chemical hardness of the cation and anion (in kcal/mol )

the dipole moments of the cation and anions (muC and muA , in Debye)

the two NPR values of the cation and anion, the radius of gyration (Rg, in angström), the cation:anion stoichiometry

an archive that contains optimized IL geometries in individual .xyz files, identified by their abbreviation

a BibTeX file of all cited sources

a CSV file with the exhaustive list of cations and anions, identified by abbreviation, full IUPAC name, and SMILES, and completed with the chemical hardness (in kcal/mol), the dipole moment (in D), the two NPR values and the radius of gyration, Rg , in angström