The UT Analytical Chemistry group is well known for its acid-base studies, especially pKa measurements, in non-aqueous media. Up to recent time the measured data have been scattered among a number of publications containing pKa measurements.

Now the pKa data of acids and bases in different solvents – acids in MeCN and 1,2-Dichloroethane; bases in THF, MeCN and 1,2-dichloroethane – are compiled into collections of experimental acidity and basicity data in non-aqueous media measured by the UT analytical chemistry group are now up to date on group’s webpage.

Both tables include the compounds name, CAS number and SMILES code. The acidity collection contains 190 compounds, where the compounds available experimentally measured pKa in acetonitrile (MeCN) and pKip in 1,2-dichloroethane (DCE) are given. The pKa in DCE is calculated/estimated based on pKip value.

The basicity data collection includes 353 compounds and their pKip in tetrahydrofuran (THF) and in DCE. The pKa values in MeCN were re-evaluated taking into account all (close to 700) measurements of 279 bases. Therefore, these pKa values can be considered the most reliable pKa values measured in MeCN available!

We welcome everybody to use the pKa values and propose other compounds for which pKa values should be measured.


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