Shi, Yajuan published the artcileNorm index for predicting the rate constants of organic contaminants oxygenated with sulfate radical, Name: 3-Pentanol, the main research area is surface water sulfate radical organic contaminant oxygenation rate modeling; Norm index; Organic contaminants; QSPR; Second-order rate constants; Sulfate radical.
The degradation of organic contaminants in aquatic systems has raised immense attention worldwide, and the second-order rate constant (kSO.-4) of water pollutants oxidized by sulfate radical anion is an important index for assessing the degradation efficiency of organics Herein, a new norm math. formula is defined. Based on this, four new descriptors are proposed and a QSPR model is developed for predicting kSO.-4 using 30 families of emerging organic pollutants in water. The statistical results fully prove that this model has good fitting effect and stability with R2 of 0.8862, Q2LOO of 0.8466, and Q25-fold of 0.8329, resp. The validation results including cross validation, applicability domain anal., and model comparison show that this model has good robustness, predictive performance, and reliability. These decent results indicate that the new norm math. formula is effective in calculating descriptors and the norm indexes have a great application for evaluating the transformation fate of organic pollutants by sulfate radical in aquatic systems.
Environmental Science and Pollution Research published new progress about Electronegativity. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Name: 3-Pentanol.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts