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Thermochemistry of Substituted Benzamides and Substituted Benzoic Acids: Like Tree, Like Fruit?
Sergey P Verevkin1,2, Vladimir N Emel'yanenko3, Dzmitry H Zaitsau1,2
1Department of Physical Chemistry and Department "Science and Technology of Life, Light and Matter", University of Rostock, 18059, Rostock, Germany.
Abstract:
Structure-property analyses of thermodynamic properties in chemical families of R-substituted benzamides, R-substituted benzoic acids, as well as R-substituted benzenes have been performed. The general linear interrelations for the vaporization enthalpies and the gas-phase enthalpies of formation between the chemical families under study have been established. These linear correlations provide a simple method for prediction of thermodynamic properties for benzenes with various combination of R-group substituents on the benzene ring. In addition, the robust structure-property correlations revealed in this study can serve for the establishment of the internal consistency of experimental results available for each chemical series.
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