Predictions of log P for aromatic compounds

Authors
Citation
A. Brandstrom, Predictions of log P for aromatic compounds, J CHEM S P2, (11), 1999, pp. 2419-2422
Citations number
4
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
ISSN journal
03009580 → ACNP
Issue
11
Year of publication
1999
Pages
2419 - 2422
Database
ISI
SICI code
0300-9580(199911):11<2419:POLPFA>2.0.ZU;2-#
Abstract
In a previous paper it has been found that Hammett's parameter sigma(X)(P) is not very useful as a measure of electronic effects. The equation log P(X C6H4Y) = log P(C6H6) + pi(X) + pi(Y) + sigma(X) x rho(P)(Y) + sigma(Y) x rh o(P)(X) deduced for the calculation of log P values for aromatic compounds has therefore been revised. Good results are obtained when sigma(P)(X) is r eplaced by the parameter sigma(P)(X)(P) specifically designed for use in di stribution processes. A number of pi(X), pi(Y), and rho(P)(Y) values are gi ven which, together with the sigma'(m)(X) values, can be used to calculate log P values.