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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Phototransformation in air

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Administrative data

Link to relevant study record(s)

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).