Email this article Prediction of enthalpies of vaporization based on modified Randič indices. Esters
- Authors: Krasnykh E.L.1, Portnova S.V.1
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Affiliations:
- Samara State Technical University
- Issue: Vol 57, No 3 (2016)
- Pages: 437-445
- Section: Article
- URL: https://journals.rcsi.science/0022-4766/article/view/159622
- DOI: https://doi.org/10.1134/S0022476616030033
- ID: 159622
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Abstract
In the work a prediction method based on modified Randič indices to estimate the enthalpies of vaporization under standard conditions ΔvapH0(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.
About the authors
E. L. Krasnykh
Samara State Technical University
Author for correspondence.
Email: kinterm@samgtu.ru
Russian Federation, Samara
S. V. Portnova
Samara State Technical University
Email: kinterm@samgtu.ru
Russian Federation, Samara
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