Acyclic saturated and unsaturated carbonyl compounds (mono-and dialdehydes, mono-and diketones, keto aldehydes, and esters of monocarboxylic acids) with various degrees of branching but devoid of hydrogen bonding were included in a quantitative structure-property relationship study for correlating chemical structure with normal boiling points. Three separate correlations are presented in terms of five topological indices: for 127 mono-and dialdehydes and -ketones, for 73 esters, and for the combined set of all 200 carbonyl compounds. Standard deviations are lower than 7°C.
|Original language||English (US)|
|Number of pages||7|
|Journal||Journal of chemical information and computer sciences|
|State||Published - Jan 1 1999|