EXTENDED MOLECULAR CONNECTIVITY - PREDICTION OF BOILING POINTS OF ALKANES

Authors
TOROPOV AA TOROPOVA AP ISMAILOV TT VOROPAEVA NL RUBAN IN
Citation
Aa. Toropov et al., EXTENDED MOLECULAR CONNECTIVITY - PREDICTION OF BOILING POINTS OF ALKANES, Journal of structural chemistry, 38(6), 1997, pp. 965-969
Citations number
12
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
38
Issue
6
Year of publication
1997
Pages
965 - 969
Database
ISI
SICI code
0022-4766(1997)38:6<965:EMC-PO>2.0.ZU;2-B
Abstract
It is shown that extended molecular connectivity may be used for ''str ucture-property'' studies. The statistical parameters of the correlati on relations of boiling points with extended molecular connectivity in dices found for a sample of alkanes (n = 74) are the following: the be st two-parameter correlation r = 0.9948, s = 4.7; the best three-param eter correlation r = 0.9971, s = 3.5.