Relationship between molecular structures and normal boiling points

An effective parameter, which can represent molecular structures, is desired to distinguish isomers. In a series of our studies, the normal boiling points are found to be useful to distinguish isomers. In this study, a branching ratio is introduced to represent molecular structures and the relationship between the branching ratios and the normal boiling points for hydrocarbons and alcohols is discussed. It is noted that the experimental normal boiling points seem to be more successful to represent the molecular structure differences and therefore to distinguish isomers.

molecular structure

isomer

normal boiling point

branching ratio

binary interaction parameter

Wilson parameter

vapor-liquid equilibrium