Correlation of physicochemical properties of alkylphenols with their graph-theoretical epsilon parameter.

Abstract:

:For a series of 40 alkylphenols, the graph-theoretical parameter epsilon correlates very closely with physicochemical parameters of interest in predicting environmental toxicity and fate, and especially with logKOW (r = 0.998). Possible uses of this correlation are discussed, along with needs for extending the epsilon parameter to other types of molecules.

journal_name

Chemosphere

journal_title

Chemosphere

authors

Cash GG

doi

10.1016/0045-6535(95)00295-j

subject

Has Abstract

pub_date

1995-11-01 00:00:00

pages

4307-15

issue

10

eissn

0045-6535

issn

1879-1298

pii

004565359500295J

journal_volume

31

pub_type

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