Abstract:
:The fragment constant model for estimating partition coefficient of nonionic organic mixtures is developed based on group contribution theory. For 60 mixtures randomly composed of eight substituted benzenes, the C(18)-Empore disks/water partition coefficients (K(MD)) are determined. Establishment of a model between these K(MD) and the mole fraction of the fragments (Cl, Br, I, NO(2), CH(3)) acquires the fragments constants for K(MD). The significant linear regression equation, between these fragment constants and that of Hansch, provides an approach for calculating K(MD) of untested nonionic organic mixtures by using the fragment constants of Hansch.
journal_name
Arch Environ Contam Toxicoljournal_title
Archives of environmental contamination and toxicologyauthors
Lin Z,Yu H,Gao S,Cheng J,Wang Ldoi
10.1007/s002440010246subject
Has Abstractpub_date
2001-10-01 00:00:00pages
255-60issue
3eissn
0090-4341issn
1432-0703journal_volume
41pub_type
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