Topological Index and Thermodynamic Properties. I. Empirical Rules on the Boiling Point of Saturated Hydrocarbons

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Abstract
Empirical relations are proposed for the boiling point (bp) and the topological index (ZG) of a saturated hydrocarbon as bp=alogZG+b or bp=(alogZG+c)⁄\sqrtN+b, where N is the number of the carbon atoms. A number of compounds with or without ring(s) are plotted for these relations. Correlation is generally better for cyclic compounds than for chain compounds. Sterically hindered paraffins deviate appreciably. Several empirical rules on the isomeric lowering of the boiling point of saturated hydrocarbons are presented and most of them are shown to be consistent with the above relations. Several empirical formulae for the boiling point of normal paraffins are compared and discussed.