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Environmental fate & pathways

Phototransformation in air

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Reference
Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method.
Principles of method if other than guideline:
Calculated with AOP Program v1.92 of EPI-Suite Software.
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- sensitiser for indirect photolysis: OH radicals
- Concentration of OH radicals: 0.5 E6 OH/cm³, 24 h/d
% Degr.:
50
Sampling time:
2.9 d

A 24-hour day and an OH radical concentration of 0.5 E06 OH/cm³ are assumed for the calculation.

Overall OH rate constant (for indirect photolysis): 5.5893E-12 cm³/(molecule*sec)

Executive summary:

In the atmosphere, a half-life of 2.9 days for adipic acid is estimated due to the reaction with photochemically produced hydroxyl radicals, considering a OH concentration of 500,000 radicals/cm³ as a 24h-average (Currenta, 2009).

Description of key information

In the atmosphere a half-life of 2.9 d for adipic acid is estimated due to reaction with photochemically produced hydroxyl radicals, considering an OH-concentration of 500,000 radicals/cm³ as a 24-h average (Currenta, 2009). 

Key value for chemical safety assessment

Half-life in air:
2.9 d
Degradation rate constant with OH radicals:
500 000 cm³ molecule-1 d-1

Additional information

As no data on phototransfromation in air are available, the rate constant for the atmospheric gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals is estimated with the Atmospheric Oxidation Program (AOPWIN) of US Environmental Protection Agency. The rate constant is then used to calculate the atmospheric half-life. A 24-hour day and an OH radical conc. of 500,000 OH/cm3 are assumed for calculation.

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