Consensus flow list

Identity

Type
Neutral molecule
CAS
61869-02-1
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
48 across every transformer

Structure

Structure diagram for 3,5-diethylheptane

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OBHTWTQZINRNAB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H24/c1-5-10(6-2)9-11(7-3)8-4/h10-11H,5-9H2,1-4H3
IUPAC name chemrof:IUPAC_name 3,5-diethylheptane
Molecular formula chemrof:molecular_formula C11H24
Molecular mass chemrof:molecular_mass 156.313
Monoisotopic mass chemrof:monoisotopic_mass 156.187801
SMILES string chemrof:smiles_string CCC(CC)CC(CC)CC

Known URLs

5

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=61869-02-1 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00622367 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.013.305J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22089115 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82526263 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
3e4d7795-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
fe0acd60-3ddc-11dd-a423-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a422-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a424-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a421-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
3e4d7793-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
3e4d7796-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
3e4d7798-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
3e4d779a-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
3e4d7797-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
3e4d7794-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
3e4d7799-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (48 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6fa03b8bda27344c",
  "prefLabel": [
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [],
  "properties": {
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    },
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    },
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        }
      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "classifications": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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