Prediction of enthalpies of vaporization based on modified Randič indices. Esters

Resumo

In the work a prediction method based on modified Randič indices to estimate the enthalpies of vaporization under standard conditions Δ_vapH⁰(298.2) is proposed for esters with different structures and numbers of ester groups. It is shown that the proposed method enables the prediction of enthalpies of vaporization of esters with an accuracy as good as experimental.