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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
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: 11.5368 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92
DT50:
33.376 h
Test condition:
calculation based on a 24 h day

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 = 33.4 h (24h day, OH-concentration: 0.5E+06 OH/cm3, AOPWIN v1.92)

Key value for chemical safety assessment

Half-life in air:
33.4 h

Additional information

Based on a QSAR calculation for 2-ethylhexyl benzoate (CAS No. 5444-75-7) using AOPWIN v1.92, the substance is susceptible to indirect photodegradation in air. The estimated half time for the reaction with OH-radicals is 33.4 hours (24h day; OH-concentration: 0.5E+06 OH/cm3). The substance is expected to evaporate slowly into the atmosphere (HLC = 25.6 Pa*m3/mol at 25 °C; HENRYWIN v3.20).