Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
217126 | The Journal of Chemical Thermodynamics | 2008 | 5 Pages |
Abstract
The standard molar enthalpies of formation of ethylene carbonate, propylene carbonate, and butylene carbonate were measured using combustion calorimetry. Ab initio calculations of molar enthalpies of formation of alkylene carbonates were performed using the G3MP2 method. The calculated values are in excellent agreement with available experimental data. Ring strain corrections were quantified for the refinement of the group-contribution method for prediction of enthalpies of formation and vaporization of alkylene carbonates.
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Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Sergey P. Verevkin, Vladimir N. Emel’yanenko, Alexey V. Toktonov, Yury Chernyak, Benjamin Schäffner, Armin Börner,