Registration Dossier
Registration Dossier
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EC number: 938-351-5 | CAS number: -
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- other information
- Study period:
- calculated 2011-03-25
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
- Principles of method if other than guideline:
- Calculation: Vapour pressure x molecular weight / water solubility = 6.48E-8 Pa * 444.58 g/mol / 4.54E-5 g/m3
Test material
- Reference substance name:
- 2,4-dioxo-1,3-diazetidine-1,3-diylbis[methylene(1,5,5-trimethylcyclohexane-1,3-diyl)] diisocyanate
- EC Number:
- 245-617-8
- EC Name:
- 2,4-dioxo-1,3-diazetidine-1,3-diylbis[methylene(1,5,5-trimethylcyclohexane-1,3-diyl)] diisocyanate
- Cas Number:
- 23370-68-5
- Molecular formula:
- C24H36N4O4
- IUPAC Name:
- 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione
- Reference substance name:
- Reference substance 001
- Details on test material:
- Cyclodimer of isophorone diisocyanate = main constituent of title substance. No sample required.
Constituent 1
Constituent 2
Results and discussion
Henry's Law constant H
- H:
- 0.63 Pa m³/mol
- Temp.:
- 25 °C
- Atm. press.:
- 1 013.25 hPa
Applicant's summary and conclusion
- Conclusions:
- The calculated Henry’s law constant of 0.63 Pa m3/mol indicates low volatility of isophorone diisocyanate cyclodimer from surface waters. Similar behaviour is expected for the higher oligomers.
- Executive summary:
The calculated Henry’s law constant of 0.63 Pa m3/mol indicates low volatility of isophorone diisocyanate cyclodimer from surface waters.
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