{"accessLevel": "public", "bureauCode": ["020:00"], "contactPoint": {"fn": "Caroline Stevens", "hasEmail": "mailto:stevens.caroline@epa.gov"}, "description": "This dataset consists of rate constants, half-lives and activation energy values for hydrolysis of organic chemicals compiled from journal publications and regulatory reports.  The dataset was used to develop a ranked library of transformation reaction schemes for abiotic hydrolysis of organic chemicals under environmentally relevant conditions.  The spreadsheet file HydrolysisRateConstants_est6b05412.xlsx contains a compilation of 187 literature-reported hydrolysis half-lives adjusted to pH 5, 7 and 9 and temperature of 25\u00b0C.  The spreadsheet file HydrolysisActivationEnergy_est6b05412.xlsx contains a compilation of 58 literature-reported activation energies for hydrolysis reaction schemes. \n\nThis dataset is associated with the following publication:\nStevens, C., J. Patel, J. Jones, and E. Weber. Prediction of Hydrolysis Products of Organic Chemicals under Environmental pH Conditions.   ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 51(9): 5008\u20135016, (2017).", "distribution": [{"downloadURL": "https://pasteur.epa.gov/uploads/630/HydrolysisActivationEnergy_est6b05412.xlsx", "mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet", "title": "HydrolysisActivationEnergy_est6b05412.xlsx"}, {"downloadURL": "https://pasteur.epa.gov/uploads/630/HydrolysisRateConstants_est6b05412.xlsx", "mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet", "title": "HydrolysisRateConstants_est6b05412.xlsx"}], "identifier": "A-4b8n-630", "keyword": ["hydrolysis", "transformations", "predictive models", "cheminformatics", "reaction library"], "license": "https://pasteur.epa.gov/license/sciencehub-license.html", "modified": "2016-07-13", "programCode": ["020:095"], "publisher": {"name": "U.S. EPA Office of Research and Development (ORD)", "subOrganizationOf": {"name": "U.S. Environmental Protection Agency", "subOrganizationOf": {"name": "U.S. Government"}}}, "references": ["https://doi.org/10.1021/acs.est.6b05412"], "rights": null, "title": "Hydrolysis Rate Data and Activation Energy Values (Supporting Information for doi 10.1021/acs.est.6b05412)"}