Environmental risk assessment of selected organic chemicals based on TOC test and QSAR estimation models

摘要: Environmental risks of organic chemicals have been greatly determined by their persistence, bioaccumulation, and toxicity (PBT) physicochemical properties. Major regulations in different countries regions identify according to bioconcentration factor (BCF) octanol-water partition coefficient (Kow), which frequently displays a substantial correlation with the sediment sorption (Koc). Half-life or degradability is crucial for persistence evaluation chemicals. Quantitative structure activity relationship (QSAR) estimation models are indispensable predicting environmental fate health effects absence field- laboratory-based data. In this study, 39 high concern were chosen half-life testing based on total carbon (TOC) degradation, two widely accepted highly used QSAR (i.e., EPI Suite PBT Profiler) adopted risk evaluation. The experimental results estimated data, as well model-based compared, water solubility, Kow, Koc, BCF half-life. assessment selected compounds was achieved combining data models. It concluded that both Profiler fairly accurate measuring properties degradation half-lives water, soil, sediment. However, between still not absolutely consistent. This suggests deficiencies prediction some ways, necessity combine predicted pollutants.