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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)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / AopWin v1.92
GLP compliance:
no

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.2887 E-12 cm3/molecule-sec

Half-Life = 0.585 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.018 Hrs

Ozone Reaction: No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi): 3.17E-006 (Junge,Mackay)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Validity criteria fulfilled:
not applicable
Conclusions:
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.2887 E-12 cm3/molecule-sec
Half-Life = 0.585 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.018 Hrs
Ozone Reaction: No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 3.17E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Executive summary:

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.2887 E-12 cm3/molecule-sec

Half-Life = 0.585 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.018 Hrs

Ozone Reaction: No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi): 3.17E-006 (Junge,Mackay)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Description of key information

Based on estimated data the phototransformation of BHT in air is as follows:

 

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.2887 E-12 cm3/molecule-sec

Half-Life = 0.585 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.018 Hrs

Ozone Reaction: No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi): 3.17E-006 (Junge,Mackay)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Key value for chemical safety assessment

Additional information

Key study: Estimated data using EPI-Suite (EPA, USA)