Original scientific paper

Mean Molecular Radius and the Wiener Number: A Quest for Meaning

Nenad Raos ; Institute for Medical Research and Occupational Health, Ksaverska c. 2, P.O.B. 291, 10001 Zagreb, Croatia

Abstract

The Wiener number (W) and its cubic root (W1/3) were correlated with molecular radii (radius of gyration, s, and the mean molecular radius, r_m) of 14 homologous sets of straight-chain and branched alkanes, with 1–21 carbon atoms. From the linear regression equations of s, s2 and s3 on W, it can be concluded that the best results in terms of the correlation coefficient (r2 = 0.9906–1.0000), as well as in terms of other regression parameters, were obtained with the response variable s3. This means that the Wiener number is most appropriately interpreted as molecular volume. Linear regression of s on W1/3 gave similar results (r2 = 0.9885–0.9994), suggesting W1/3 should be interpreted as a molecular radius. The differences between the regression coefficient and regression parameters are more pronounced for less branched molecules. Analogous linear regressions of the mean molecular radius, rm, differ little from the regressions of s.

Keywords

Wiener number; mean molecular radius; radius of gyration; alkanes

Hrčak ID:

103075

URI

https://hrcak.srce.hr/103075

Publication date:

30.4.2003.

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