Registration Dossier
Registration Dossier
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EC number: 224-778-8 | CAS number: 4488-57-7
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculations, acceptable with restrictions
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- Kinetics and mechanisms of the gas-phase reactions of the hydroxyl radical with organic compounds under atmospheric conditions.
- Author:
- Atkinson, R.
- Year:
- 1 985
- Bibliographic source:
- Chem. Rev. 85: 69-201
Materials and methods
- Principles of method if other than guideline:
- The estimation methods used by AOPWIN are based upon the structure-activity relationship (SAR) methods developed by Dr. Roger Atkinson and co-workers. AOPWIN incorporates updated fragment and reaction values as cited in Kwok and Atkinson (1995).
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene
- EC Number:
- 224-778-8
- EC Name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene
- Cas Number:
- 4488-57-7
- Molecular formula:
- C10H14
- IUPAC Name:
- tricyclo[5.2.1.0²,⁶]dec-3-ene
- Details on test material:
- Not reported
Constituent 1
Study design
- Light source:
- not specified
- Details on light source:
- Not reported
- Details on test conditions:
- Not reported
Results and discussion
- Preliminary study:
- Not reported
- Test performance:
- Not reported
Degradation rate constant
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Results with reference substance:
- Not reported
Any other information on results incl. tables
Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.1610 E-12 cm3/molecule-sec Half-Life = 0.164 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.970 Hrs
Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs
Applicant's summary and conclusion
- Conclusions:
- The overall OH rate constant was calculated to be 65.1610 E-12 cm3/molecule-sec
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