{
  "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°C.  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): 5008–5016, (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": [
    "cheminformatics",
    "hydrolysis",
    "predictive models",
    "reaction library",
    "transformations"
  ],
  "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)"
}