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EC number: 242-362-4 | CAS number: 18479-58-8
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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimation based on structure and phys-chem property inputs, using a well-validated QSAR model
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- QSAR calculation based on chemical structure plus input of experimentally determined values for Log Kow, BP, VP and water solubility
- Estimation method (if used):
- AOP v1.92 module within EPISuite v4.0
- Reaction with:
- OH radicals
- Rate constant:
- cm³ molecule-1 s-1
- Reaction with:
- ozone
- Rate constant:
- cm³ molecule-1 s-1
- Conclusions:
- Removal from the atmosphere by reaction in sunlight is predicted to be rapid:
- reaction with atmospheric OH radicals: rate constant 37.2817 E-12 cc/molecule-sec, half-life 3.449 hours
- reaction with atmospheric ozone: rate constant 1.2 E-17 cc/molecule-sec, half-life 22.92 hours.
Reference
Reaction with atmospheric OH radicals: rate constant 37.2817 E-12 cc/molecule-sec, half-life 3.449 hours.
Reaction with atmospheric ozone: rate constant 1.2 E-17 cc/molecule-sec, half-life 22.92 hours.
Description of key information
Removal from the atmosphere by reaction in sunlight is predicted to be rapid:
- reaction with atmospheric OH radicals: rate constant 37.2817 E-12 cc/molecule-sec, half-life 3.449 hours
- reaction with atmospheric ozone: rate constant 1.2 E-17 cc/molecule-sec, half-life 22.92 hours.
Key value for chemical safety assessment
- Half-life in air:
- 3.449 h
Additional information
Phototransformation rates and half-lives have been estimated using QSAR (EPISuite v 4.0).
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