Correlation of normal boiling points of dialkylalkyl phosphonates with topological indices on the gas chromatographic retention data

Abstract

The normal boiling point of twelve dialkylalkyl phosphonates has been determined using gas chromatographic technique. Dibutylhydrogen phosphonate has been used as reference for computing normal boiling point of dialkylalkyl phosphonates. Retention times of dialkylalkyl phosphonates have been measured by using temperature programmed technique. The topological indices namely, odd–even index, atom type index and steric effect index have been designed to capture surface interaction parameters. It was found to exhibit excellent correlation of the topological indices to the normal boiling point of dialkylalkyl phosphonates. Multiple linear regression analysis has been performed for development of quantitative structure property relationships discipline. It exhibited good predictive power (R2=0.998).