Consensus flow list

Identity

Substance
fo-db55ac8421d99ecb Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Unknown
CAS
65195-55-3
EC
265-610-3

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 fe0acd60-3ddc-11dd-afb4-0050c2490048 avermectin B1 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 fe0acd60-3ddc-11dd-afb4-0050c2490048 avermectin B1 Emissions/Emissions to air/Emissions to air, unspecified exactMatch

Characterisation factors

8

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 Ecotoxicity, freshwater 1.9399e+06
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 1.9399e+06 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 1.9399e+06
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 1.9399e+06 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer 2.3546e-04
EF 3.1 consensus-flow-list Human toxicity, non-cancer 2.3546e-04 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics 2.3546e-04
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics 2.3546e-04 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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}

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