Abstract
In the work a prediction method based on modified Randič indices to estimate the enthalpies of vaporization under standard conditions Δvap H 0(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.
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Translated from Zhurnal Strukturnoi Khimii, Vol. 57, No. 3, pp. 466-474, March-April, 2016.
Original Russian Text © 2016 E. L. Krasnykh, S. V. Portnova.
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Krasnykh, E.L., Portnova, S.V. Prediction of enthalpies of vaporization based on modified Randič indices. Esters. J Struct Chem 57, 437–445 (2016). https://doi.org/10.1134/S0022476616030033
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DOI: https://doi.org/10.1134/S0022476616030033