Abstract

The molecular graph of compounds containing heteroatoms is expressed by introducing a new parameter β into the adjacency matrix at the position of the carbon-heteroatom pairs. The Wiener equation is modified to correlate some physical properties (normal boiling points, critical constants and refractive index) of acyclic halogen derivatives, ethers, amines and alcohols with the graph invariants (modified Wiener number, 3-path number and 2-path number). The calculation yields successful results except for alcohols.

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