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Abstract : |
A relatively complicated relation was found to exist between the quantity U, recently introduced by Zenkevich (providing a measure of internal molecular energy), and the Wiener index W (measuring molecular surface area and intermolecular forces). We now report a detailed analysis of this relation and show that, in the case of alkanes, its main features are reproduced by the formula U = آ–aW + b + gn1; where n1 is the number of methyl groups, and a, b and g are constants, depending only on the number of carbon atoms. Thus, for isomeric alkanes with the same number of methyl groups, U and W are linearly correlated., |
