1-(2-ethylbutyl)cyclohexanecarbonyl Chloride
16abb4ee-58f1-44a7-8583-ec823ef41994
Identity
- Substance
- fo-48cecd006e48e297 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Ground level → Urban (>1000 people/square mile)
- CAS
- 211515-46-7
- EC
- 619-547-7
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Urban (>1000 people/square mile)
- Strata
- Ground level
Alternative labels
1- Cyclohexanecarbonyl chloride, 1-(2-ethylbutyl)-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 16abb4ee-58f1-44a7-8583-ec823ef41994 | 1-(2-ethylbutyl)cyclohexanecarbonyl chloride | 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 | 16abb4ee-58f1-44a7-8583-ec823ef41994 | 1-(2-ethylbutyl)cyclohexanecarbonyl chloride | Emissions/Emissions to air/Emissions to urban air close to ground | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
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 | — | 3.6582 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 3.6582 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 3.6582 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 3.6582 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
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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