A simple method for predicting the gas-chromatographic retention indices of phenolic derivatives was written by Pouretedal, Hamid Reza;Jafari, Mohammad. And the article was included in Journal of the Iranian Chemical Society.COA of Formula: C13H12O2 The following contents are mentioned in the article:
A simple approach is proposed to predict the gas-chromatog. retention indexes in nonpolar columns for a wide range of phenolic derivatives, through their mol. structures and independent of temperature data and active phase of column. The new model is based on the number of atoms and some structural moieties which depend on intra- and intermol. interactions. The present method can be easily applied for many kinds of phenolic compounds containing different substituents without using special computer codes, which need expert users. A big pool of the exptl. data (335 compounds) of retention indexes is used to construct the new model (80% for training set and 20% for test set). Different statistical parameters including the coefficient of determination, R2 (= 0.9482), root mean squared error, RMSE (= 89.01), and mean absolute percent error, MAPE (= 4.494), are used to investigate the reliability of the model, through both internal and external validation techniques. This study involved multiple reactions and reactants, such as 4,4′-Methylenediphenol (cas: 620-92-8COA of Formula: C13H12O2).
4,4′-Methylenediphenol (cas: 620-92-8) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.COA of Formula: C13H12O2
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts