Quantitative Structure-Property Relationship: XXV. Boiling Points of Aliphatic Monohydric Alcohols. Reasons for the Different Boiling Points of Isomers and Their Compositionally Related Compounds

Abstract

The quantitative structure3property relationship was used to calculate the boiling points of 74 aliphatic monohydric alcohols of various structures; the trends in the properties of isomers and their compositionally related compounds were explained with account for the [hot ends] effect.In [2] we showed that properties of molecules R3X (R is a normal C n H 2n+1 alkyl substituent and X is the residue of an aliphatic or aromatic compound) can be described by a simple equation (1).