Registration Dossier
Registration Dossier
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EC number: 607-997-7 | CAS number: 26776-30-7
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- calculated 2012-12-03
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: accepted calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- AopWin Computer Program, Vers. 1.92, integrated in U.S. EPA's EPI program Vers. 3.20
- Estimation method (if used):
- Atkinson R (1987). A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds. Int J. Chem. Kinet. 19, 799-828
- Light source:
- sunlight
- Details on test conditions:
- Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³ (approximate 24-hour mean in central Europe) - DT50:
- 4.15 h
- Test condition:
- Sensitiser (for indirect photolysis): OH; Sensitiser concentration: 500000 molecule/cm³
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The QSAR calculated rate constant for the OH sensitized photodegradation of 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane, (surrogate: blocked trimer) is approximately 92.8524E-12 cm3/(molecule * s). At 500,000 OH radicals / cm3, this corresponds to a half-life of 4.15 hours.
- Executive summary:
The QSAR calculated rate constant for the OH sensitized photodegradation of 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane, (surrogate: blocked trimer) is approximately 92.8524E-12 cm3/(molecule * s) (AopWin Computer Program, Vers. 1.92, integrated in U.S. EPA's EPI program Vers. 3.20). At 500,000 OH radicals / cm3, this corresponds to a half-life of 4.15 hours.
Reference
Description of key information
The QSAR calculated rate constant for the OH sensitized photodegradation of 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane, (surrogate: blocked trimer) is approximately 9.28524E-11 cm3/(molecule * s). At 500,000 OH radicals / cm3 (typical for central Europe), this corresponds to a half-life of 4.15 hours.
Key value for chemical safety assessment
- Half-life in air:
- 4.15 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 d-1
Additional information
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