ADDITIVITY OF THERMODYNAMIC PROPERTIES OF ORGANIC-COMPOUNDS IN THE CRYSTALLINE STATE .1. ADDITIVE CALCULATIONS FOR THERMODYNAMIC PROPERTIES OF ALKANES, ALKENES, ALKANOLS, AND ALKANONES

Additive constants to estimate thermodynamic properties of the crystals of alkanes, alkenes, alkanols, and alkanones in the range of T = 10-160 K have been derived. A classification of effective atoms and effective bonds was used. The average discrepancy between calculated and experimental thermodynamic values for the crystals of organic compounds at temperatures from 30 K to the first solid-to-solid transition temperature does not exceed 3-5 times the estimated experimental error.