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Revised Group Additivity Values for Enthalpies of Formation (at 298 K) of Carbon–Hydrogen and Carbon–Hydrogen–Oxygen Compounds
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1996
Year
EngineeringGroup Additivity ValuesStrain CorrectionsOrganic ChemistryExperimental ThermodynamicsComputational ChemistryChemistryOrganic MoleculesChemical EngineeringThermodynamic ModellingMolecular ThermodynamicsThermodynamicsThermoanalytical MethodMaterials ScienceChemical ThermodynamicsPhysical ChemistryHydrogenQuantum ChemistryCarbon–hydrogen–oxygen CompoundsNatural SciencesHydrogen BondMain Group ChemistryChemical Kinetics
A program has been undertaken for the evaluation and revision of group additivity values (GAVs) necessary for predicting, by means of Benson’s group additivity method, thermochemical properties of organic molecules. This review reports on the portion of that program dealing with GAVs for enthalpies of formation at 298.15 K (hereinafter abbreviated as 298 K) for carbon–hydrogen and carbon–hydrogen–oxygen compounds. A complete database of experimental data for gas, liquid, and crystal (solid) phase enthalpies of formation is presented. The GAVs, ring strain corrections, and non-nearest neighbor interactions derived from the database are presented in tabular form, together with a description of their evaluation and comments on reliability, uncertainties, and missing or questionable data.