Consensus flow list

Identity

Substance
fo-305eae1601d2c7c2 MolecularAnion
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Unknown
CAS
471-53-4
EC
207-444-6

Context

Dimension
Environmental
Media
Water
Water body
Unknown

Alternative labels

18

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 f970fdce-ea4d-4922-b73d-e817079b425a enoxolone 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 f970fdce-ea4d-4922-b73d-e817079b425a enoxolone Emissions/Emissions to water/Emissions to water, unspecified exactMatch

Characterisation factors

4

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Human toxicity, cancer 0
EF 3.1 consensus-flow-list Human toxicity, cancer 0 sole
EF 3.1 European Commission — JRC Human toxicity, cancer_organics 0
EF 3.1 consensus-flow-list Human toxicity, cancer_organics 0 sole

This flow in the difference report

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
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  "_sources": {
    "prefLabel": "normalize_name_case",
    "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",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "471-53-4": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "enoxolone",
    "synonyms": [
      "organic",
      "enoxolone"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified"
    ],
    "cas_numbers": [
      "471-53-4"
    ],
    "ec_numbers": [
      "207-444-6"
    ],
    "unit": "kg"
  }
}

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