Gv. Korolev et al., Effect of weak (dispersion) intermolecular interactions on physical properties of organic compounds, RUSS J G CH, 69(10), 1999, pp. 1563-1567
Data on the properties of organic compounds are collected and comparative a
nalysis of the data is performed. The dataset contains information on prope
rties sensitive to structural variations, such as boiling point (bp), melti
ng point (mp), and molecular packing factor (K-p), for specially selected c
omparative series of compounds including homologous series. These comparati
ve series of ca. 1000 organic compounds include saturated, unsaturated, lin
ear, branched, and cyclic hydrocarbons with only weak sites of intermolecul
ar interaction of dispersion type. Regular trends and features of intermole
cular interactions in hydrocarbons of various classes were revealed, indica
ting that the intensity of intermolecular interactions is the principal cha
racteristic that defines bp, mp, and K-p of a hydrocarbon. The molecular sy
mmetry and shape (set of conformational states) also contributes to formati
on of systems of intermolecular interactions. These factors affect the dens
ity and order in molecular packing of organic compounds with the dispersion
type of intermolecular interactions.