Abstract
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) |
|---|---|
| Pages (from-to) | 758-764 |
| Number of pages | 7 |
| Journal | Journal of chemical information and computer sciences |
| Volume | 39 |
| Issue number | 4 |
| DOIs | |
| State | Published - 1999 |