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QSRR correlation of free-radical polymerization chain-transfer constants for styrene
F Ignatz-Hoover1, R Petrukhin, M Karelson
1Flexsys America L.P., 260 Springside Drive, P.O. Box 5444, Akron, Ohio 44334-0444, USA.
Journal of Chemical Information and Computer Sciences
|March 30, 2001
Abstract:
Quantitative structure-reactivity relationships (QSRR) are deduced for kinetic chain-transfer constants for 90 agents on styrene polymerization at 60 degrees C. Three- and five-parameter correlations were obtained with R2 of 0.725 and 0.818, respectively. The descriptors involved in the correlations are consistent with the proposed mechanism of the chain-transfer reactions.