Title of article
Comparison of two methods for obtaining degradation half-lives
Author/Authors
Todd Gouin، نويسنده , , Ian Cousins، نويسنده , , Don Mackay، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
5
From page
531
To page
535
Abstract
Given the paucity of experimental degradation half-life data for most organic chemicals, there is a compelling incentive to use available estimation software when undertaking assessments of chemical persistence and mass balance modeling studies. In this study, half-life data obtained from estimation software for a set of 233 organic chemicals in air, water, soil and sediments were shown to differ significantly from half-life data listed in handbooks. It is suggested that the widely available and used estimation software, EPIWIN (Estimations Programʹs Interface for Windows), overestimates the reactivity of persistent organic pollutants (POPs). Reasons for this overestimation are explored. It is concluded that the maximum “default half-life values” used by the EPIWIN software are too short for estimating half-lives of highly persistent chemicals such as PCBs. There is a need for estimation software such as EPIWIN to be more thoroughly calibrated against experimental derived half-life data for a wide range of chemicals, including potential POPs, thus improving their reliability.
Keywords
modeling , QSAR , Degradation , half-life , EPIWIN , POP
Journal title
Chemosphere
Serial Year
2004
Journal title
Chemosphere
Record number
737421
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