Brightway Flows 1.0
GitHub

Identity

Substance
fo-5cdfe1841b204ec7 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Unknown
CAS
156053-88-2
EC

Context

Dimension
Environmental
Media
Water
Water body
Unknown

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 cec0aa4d-8a96-482f-8ac3-9da70fe39ea3 HFE-338mcf2 The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 cec0aa4d-8a96-482f-8ac3-9da70fe39ea3 HFE-338mcf2 Emissions/Emissions to water/Emissions to water, unspecified exactMatch

History

The change log and the PROV-O trail (1 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
{
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H2F8O",
        "C8H2F16O"
      ],
      "attested_by": {
        "C4H2F8O": [
          "enrich_references.pubchem_semantic"
        ],
        "C8H2F16O": [
          "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:2775955",
            "CID:87200980"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(C(F)(F)F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PWUUTIKGSUITSX-UHFFFAOYSA-N",
        "ZOMISZRVOJQGOT-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "PWUUTIKGSUITSX-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "ZOMISZRVOJQGOT-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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            "CID:87200980"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(C(F)(F)F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(C(F)(F)F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)C(F)(F)F",
        "C(C(F)(F)F)OC(C(F)(F)F)(F)F"
      ],
      "attested_by": {
        "C(C(C(F)(F)F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)C(F)(F)F": [
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          "rdkit_post_consensus"
        ],
        "C(C(F)(F)F)OC(C(F)(F)F)(F)F": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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            "CID:87200980"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(C(F)(F)F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C4H2F8O/c5-2(6,7)1-13-4(11,12)3(8,9)10/h1H2",
        "InChI=1S/C8H2F16O/c9-3(10,7(19,20)21)1(5(13,14)15)25-2(6(16,17)18)4(11,12)8(22,23)24/h1-2H"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic"
        ],
        "InChI=1S/C8H2F16O/c9-3(10,7(19,20)21)1(5(13,14)15)25-2(6(16,17)18)4(11,12)8(22,23)24/h1-2H": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(C(F)(F)F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,1,1,2,2,4,4,4-octafluoro-3-(1,1,1,3,3,4,4,4-octafluorobutan-2-yloxy)butane",
        "1,1,1,2,2,4,4,4-octafluoro-3-[2,2,3,3,3-pentafluoro-1-(trifluoromethyl)propoxy]butane",
        "1,1,1,2,2,4,4,4-octakis(fluoranyl)-3-[1,1,1,3,3,4,4,4-octakis(fluoranyl)butan-2-yloxy]butane",
        "1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane",
        "1,1,1,2,2-pentakis(fluoranyl)-2-[2,2,2-tris(fluoranyl)ethoxy]ethane"
      ],
      "attested_by": {
        "1,1,1,2,2,4,4,4-octafluoro-3-(1,1,1,3,3,4,4,4-octafluorobutan-2-yloxy)butane": [
          "enrich_references.pubchem_semantic"
        ],
        "1,1,1,2,2,4,4,4-octafluoro-3-[2,2,3,3,3-pentafluoro-1-(trifluoromethyl)propoxy]butane": [
          "enrich_references.pubchem_semantic"
        ],
        "1,1,1,2,2,4,4,4-octakis(fluoranyl)-3-[1,1,1,3,3,4,4,4-octakis(fluoranyl)butan-2-yloxy]butane": [
          "enrich_references.pubchem_semantic"
        ],
        "1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane": [
          "enrich_references.pubchem_semantic"
        ],
        "1,1,1,2,2-pentakis(fluoranyl)-2-[2,2,2-tris(fluoranyl)ethoxy]ethane": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2775955",
          "CID:87200980"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J744.272F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2775955;CAS:156053-88-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[156053-88-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=156053-88-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "156053-88-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90379752",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[156053-88-2]"
      }
    },
    {
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[156053-88-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87200980",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[156053-88-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q66084529",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[156053-88-2]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "HFE-338mcf2",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "cec0aa4d-8a96-482f-8ac3-9da70fe39ea3",
  "identifier": "cec0aa4d-8a96-482f-8ac3-9da70fe39ea3",
  "source": "EF 3.1",
  "cas_numbers": [
    "156053-88-2"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-5cdfe1841b204ec7",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/cec0aa4d-8a96-482f-8ac3-9da70fe39ea3",
        "skos:prefLabel": "HFE-338mcf2",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/cec0aa4d-8a96-482f-8ac3-9da70fe39ea3"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/cec0aa4d-8a96-482f-8ac3-9da70fe39ea3"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "withhold_ambiguous_mass",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "156053-88-2": "exactMatch"
  },
  "general_comment": "Internal note: CAS and potential doublets to be checked before next update. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "_transformed": true,
  "_provided": {
    "name": "HFE-338mcf2",
    "synonyms": [],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified"
    ],
    "cas_numbers": [
      "156053-88-2"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

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

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