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QSARS FOR PREDICTING REDUCTIVE TRANSFORMATION RATE CONSTANTS OF HALOGENATED AROMATIC HYDROCARBONS IN ANOXIC SEDIMENT SYSTEMS
Citation:
Peijenburg, W., M. Hart, H. Hollander, D. Meent, H. Verboom, AND N. Wolfe. QSARS FOR PREDICTING REDUCTIVE TRANSFORMATION RATE CONSTANTS OF HALOGENATED AROMATIC HYDROCARBONS IN ANOXIC SEDIMENT SYSTEMS. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/J-92/146 (NTIS PB92166800), 1992.
Description:
Quantitative structure-activity relationships (QSARs) are developed relating initial and final pseudo-first-order disappearance rate constants of 45 halogenated aromatic hydrocarbons in anoxic sediments to four readily available molecular descriptors: the carbon-halogen bond strength, the summation of the Hammet sigma constants of the additional substituents, and the steric factor of the additional substituents. omparison of the "initial" and "final" QSARs suggests that the same agent is involved as the reductant in both processes. he rate constants for reduction of seven haloaromatics obtained in ten different sediment samples are correlated with the organic carbon content of the samples. he correlations are enhanced by taking into account the fraction of the compounds sorbed to the solid phase.
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QSARS FOR PREDICTING REDUCTIVE TRANSFORMATION RATE CONSTANTS OF HALOGENATED AROMATIC HYDROCARBONS IN ANOXIC SEDIMENT SYSTEMS