Abstract
The results of a study aimed at improvement of group-contribution methodology for estimation of enthalpies of formation in the ideal-gas state for pure organic substances are reported. Specific weaknesses where particular group-contribution terms were unknown, or estimated because of lack of experimental data, are addressed by experimental studies of enthalpies of combustion in the condensed phase, vapor-pressure measurements, and differential scanning calorimetric (DSC) heat-capacity measurements. Enthalpies of formation in the condensed phase were determined for 1,4-diisopropylbenzene, 1,2,4,5-tetraisopropylbenzene, dimethyl malonate, glutaric acid, pimelic acid, and cyclohexanone oxime. Ideal-gas enthalpies of formation for each of the compounds except pimelic acid are also reported. Enthalpies of fusion and for crystalline phase transitions were determined for 1,2,4,5-tetraisopropylbenzene, cyclohexanone oxime, glutaric acid, and pimelic acid. Two-phase (solid + vapor) or (liquid + vapor) heat capacit...
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