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Environmental fate & pathways

Phototransformation in air

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Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
calculated using AOP (v1.87)
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000 molecule/cm³
- Degradation rate constant: 0.0000000000468328 cm³/(molecule*sec)
- Computer programme: AOP v1.87
Key result
DT50:
8.2 h
Test condition:
calculation based on a 24 h day
Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
1. SOFTWARE
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000
- Degradation rate constant: 0.0000000000463 cm³/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: SRC AOP v1.92 29 Nov 2007
- Calculated t 1/2 is based on a 24 h day
DT50:
8.22 h
Test condition:
calculation based on a 24 h day

Description of key information

After evaporation or exposure to the air, the product will be rapidly degraded by photochemical processes.

Key value for chemical safety assessment

Additional information

The assessment of photodegradation using SRC AOP v1.87 and 1.92 revealed a half life of 8 hours for IBDU (rate constant 0.0000000000468328 cm³/molecule-sec). For this calculation a 24 -hour day and a sensitizer-concentration (OH-radicals) of 500,000 molecules/cm³ was assumed.