Kinetic dataset - aqueous oxidation of aliphatic acids by hydroxyl radical

In the five spreadsheets included in this dataset, the values of the bimolecular reaction rate coefficients for the aqueous oxidation of aliphatic carboxylic acids (protonated forms), carboxylate anions (deprotonated forms) by hydroxyl radical (OH), and their activation parameters are compiled. These data include the literature data (cited within the readme.txt file) and the values of bimolecular reaction rate coefficients. The first spreadsheet (298K_literature_refs) contains raw literature data, compiled bimolecular reaction rate coefficients at 298K with literature references. The second spreadsheet (298K_SAR) contains the reviewed data, used for developing and optimizing a kinetic structure-activity relationship model. The third spreadsheet (T_dept_literature_refs) contains raw literature data, compiled bimolecular reaction rate coefficients, measured between 278 and 328 K. The fourth spreadsheet contains the reviewed data, bimolecular reaction rate coefficients, measured between 278 and 328 K, with outliers removed and missing values (when different temperatures were used between studies) filled out with values calculated using the Arrhenius expression – these data were used for developing and optimizing a kinetic structure-activity relationship model. The fifth spreadsheet (T_dept_activaton_only) lists the values of activation parameters derived via the Arrhenius expression for the carboxylic acids under investigation.