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Environmental fate & pathways

Phototransformation in air

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Reference
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

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.

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.

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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