COMPARISON BETWEEN THE STRUCTURE BOILING-POINT RELATIONSHIPS WITH DIFFERENT DESCRIPTORS FOR CONDENSED BENZENOIDS

Citation
D. Plavsic et al., COMPARISON BETWEEN THE STRUCTURE BOILING-POINT RELATIONSHIPS WITH DIFFERENT DESCRIPTORS FOR CONDENSED BENZENOIDS, New journal of chemistry, 22(10), 1998, pp. 1075-1078
Citations number
21
Categorie Soggetti
Chemistry
Journal title
ISSN journal
11440546
Volume
22
Issue
10
Year of publication
1998
Pages
1075 - 1078
Database
ISI
SICI code
1144-0546(1998)22:10<1075:CBTSBR>2.0.ZU;2-4
Abstract
We compare the structure-boiling point models for benzenoid hydrocarbo ns based on three distance descriptors (the detour index, the Wiener s um index and its variant) and two connectivity indices (the vertex- an d edge-connectivity indices) with those based on the geometric distanc e indices. The conclusions of this study are that the best model is ba sed on the edge-connectivity index and that the models based on the ge ometric distance indices are good but not as good as models based on t he connectivity indices.