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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: Validated QSAR model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on AOPWIN v1.92, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 107.9691 E-12 cm3/molecule-sec (Cis-isomer), 115.5691 E-12 cm3/molecule-sec (Trans-isomer)
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92
DT50:
3.566 h
Test condition:
calculation based on a 24 h day, Cis-isomer
DT50:
3.332 h
Test condition:
calculation based on a 24 h day, Trans-isomer

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". The estimation is based on a 24 hour day.

Description of key information

DT50 = 3.566 h (cis-isomer) and 3.332 h (trans-isomer) (AOP WIN v1.92)

Key value for chemical safety assessment

Additional information

No studies investigating the indirect photolysis of the substance are available. Using the estimation program EpiSuite (AOP WIN v1.92), half-lives of 3.566 and 3.332 hours were calculated for the cis- and trans-isomer, respectively, assuming OH-radicals as sensitisers (Knoell Consult GmbH, 2012).