Brightway Flows 1.0
GitHub

Identity

Substance
fo-39858dcea8d22fc8 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Unknown
CAS
756-13-8
EC
436-710-6

Context

Dimension
Environmental
Media
Air
Strata
Unknown

Alternative labels

9

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 ce70935a-a344-4bb4-97f9-eb3aab3d326d 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON
{
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6F12O"
      ],
      "attested_by": {
        "C6F12O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2782408"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RMLFHPWPTXWZNJ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "RMLFHPWPTXWZNJ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2782408"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Perfluoro-2-methyl-3-pentanone"
          ]
        }
      ],
      "attested_by": {
        "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Perfluoro-2-methyl-3-pentanone"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone",
        "Perfluoro-2-methyl-3-pentanone"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone",
          "Perfluoro-2-methyl-3-pentanone"
        ]
      },
      "attested_by": {
        "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone": [
          "opsin_iupac"
        ],
        "Perfluoro-2-methyl-3-pentanone": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        316.041
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "316.041": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        315.975753
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "315.975753": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J953.676K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2782408;CAS:756-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[756-13-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.103.448",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2782408;CAS:756-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[756-13-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.122.198",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2782408;CAS:756-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[756-13-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=756-13-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "756-13-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4074932",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2782408;CAS:756-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[756-13-8]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Perfluoro(2-methyl-3-pentanone)",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2782408;CAS:756-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[756-13-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2782408",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2782408;CAS:756-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[756-13-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q619868",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2782408;CAS:756-13-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[756-13-8]"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "ce70935a-a344-4bb4-97f9-eb3aab3d326d",
  "identifier": "ce70935a-a344-4bb4-97f9-eb3aab3d326d",
  "source": "EF 3.1",
  "cas_numbers": [
    "756-13-8"
  ],
  "ec_numbers": [
    "436-710-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 2.6272
    },
    {
      "method_uuid": "6209b35f-9447-40b5-b68c-a1099e3674a0",
      "name": "Climate change",
      "methodology": "Environmental Footprint",
      "impact_category": "Climate change",
      "impact_indicator": "Radiative forcing as Global Warming Potential (GWP100)",
      "characterization_factor": 0.114
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.8848e-8
    },
    {
      "method_uuid": "7fce5b3a-66b8-4ce1-91e8-a925aee1f186",
      "name": "Climate change-Fossil",
      "methodology": "Environmental Footprint",
      "impact_category": "Climate change",
      "impact_indicator": "Radiative forcing as Global Warming Potential (GWP100)",
      "characterization_factor": 0.114
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.8848e-8
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 2.6272
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "prefLabel": [
    {
      "@value": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecafluoro-2-methylpentan-3-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "FK 5-1-12",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heptafluoroisopropyl pentafluoroethyl ketone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Khaldon PFK 49",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perfluoro(ethyl isopropyl ketone)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perfluoro-(4-methylpentan-3-one)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perfluoro-2-methyl-3-pentanone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:756-13-8",
          "https://commonchemistry.cas.org/detail?cas_rn=756-13-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-39858dcea8d22fc8",
  "concept_associations": [],
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:a19b9ce6-e251-11e6-bf01-fe55135034f3",
  "is_replaced_by_uuid": "a19b9ce6-e251-11e6-bf01-fe55135034f3",
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "link_flows_to_their_substance",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "strip_catalogue_altlabels",
    "cas_match_labels": "consensus_match",
    "owl_deprecated": "pipeline.deduplication",
    "dcterms_is_replaced_by": "pipeline.deduplication",
    "is_replaced_by_uuid": "pipeline.deduplication",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "756-13-8": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone",
    "synonyms": [
      "organic",
      "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-3-pentanone",
      "3m(tm)novec(tm)1230fireprotectionfluid",
      "3m(tm)novec(tm)612magnesiumprotectionfluid",
      "3m(tm)novec(tm)649engineeredfluid"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, unspecified"
    ],
    "cas_numbers": [
      "756-13-8"
    ],
    "ec_numbers": [
      "436-710-6"
    ],
    "unit": "kg"
  }
}

Something wrong here?

A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.

You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close