Extract physicochemical property, environmental fate, and bioaccumulation data from public sources

This product will deliver physiochemical data needed to assess the potential impact of PFAS chemicals on the environment. While there is a broad range ofproperties to support regulatory activities, the octanol-water partition coefficient (logKow/logP), aqueous solubility, vapor pressure, BAF and BCF(bioaccumulation and bioconcentration factors) are some of the more important. Additional physicochemical properties will be added based on discussionwith the program offices (e.g. OLEM). Clear selection criteria will be established for the inclusion/exclusion of physicochemical property values. Due to therecent focus on PFAS chemicals, new data is being generated and made available via public domain databases and peer-reviewed literature. Datacollection will enable users to access this data via our chemical properties database and the CompTox Chemicals Dashboard. The data search will focuson chemicals in our PFAS inventory (https://comptox.epa.gov/dashboard/chemical_lists/EPAPFASINV). Additional chemicals for the search will be addedbased on discussions with the program offices. Efforts will be coordinated with the other labs (e.g. CPHEA) to avoid duplication of effort. These data willalso be utilized for the development of predictive QSPR models (e.g. OPERA and TEST predictions) under Product CSS.8.4.11. The data can also bemade available for the training of other models within the agency. Previous research illustrated that the inclusion of new data significantly improved theperformance of QSPR models. However, new classes continue to emerge and sustained efforts are required to fill data gaps and provide reliable andcitable experimental data within the agency. The research needed to help support designation of PFAS as hazardous includes generation of chemical andphysical characteristics. This work can directly support this effort as well as other programmatic and statutory efforts of program partners.Science Inventory, CCTE products: https://cfpub.epa.gov/si/si_public_search_results.cfm?advSearch=true&showCriteria=2&keyword=CCTE&TIMSType=&TIMSSubTypeID=&epaNumber=&ombCat=Any&dateBeginPublishedPresented=07/01/2017&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&DEID=&personName=&personID=&role=Any&journalName=&journalID=&publisherName=&publisherID=&sortBy=pubDate&count=25