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Environmental fate & pathways

Phototransformation in air

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Link to relevant study record(s)

Reference
Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Study period:
2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline followed
Principles of method if other than guideline:
estimated by calculation using EPIWEB version 4.1, AopWin v1.92
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material (as cited in study report): Benzyl methacrylate, BNMA
- Smiles notation: O=C(C(=C)C)OCc1ccccc1
% Degr.:
50
Sampling time:
15.739 h
Test condition:
estimated half-life, OH reaction
% Degr.:
50
Sampling time:
24.179 h
Test condition:
estimated half-life, ozone reaction
Reaction with:
OH radicals
Rate constant:
0 cm³ molecule-1 d-1
Reaction with:
ozone
Rate constant:
< 0 cm³ molecule-1 d-1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 24.4655 E-12 cm3/molecule-sec

Half-Life = 0.656 Days (24-hr day; 0.5E6 OH/cm3)

Half-Life = 15.739 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec

Half-Life = 1.007 Days (at 7E11 mol/cm3)

Half-Life = 24.179 Hrs

Fraction sorbed to airborne particulates (phi):

5.81E-005 (Junge-Pankow, Mackay avg)

5.16E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Conclusions:
The Phototransformation in air of BNMA has been modelled using EPIWEB version 4.1, AopWin v1.92.
The Hydroxyl radicals reaction rate constant has been estimated to be 2.45E-11 cm³/molecule/s (2.11E-06 cm³/molecule/d), the half-life was calculated to 15.739 hours or 0.656 days (at 0.5E6 OH/cm³).
The Ozone reaction rate constant has been estimated to be 1.14E-17 cm³/molecule-sec (9.83E-13 cm³/molecule/d); the half-life was calculated to 24.179 hours or 1.007 days (at 7E11 mol/cm³).
Executive summary:

The Phototransformation in air of BNMA has been modelled using EPIWEB version 4.1, AopWin v1.92.

The Hydroxyl radicals reaction rate constant has been estimated to be 2.45E-11 cm³/molecule/s (2.11E-06 cm³/molecule/d), the half-life was calculated to 15.739 hours or 0.656 days (at 0.5E6 OH/cm³).

The Ozone reaction rate constant has been estimated to be 1.14E-17 cm³/molecule-sec (9.83E-13 cm³/molecule/d); the half-life was calculated to 24.179 hours or 1.007 days (at 7E11 mol/cm³).

Description of key information

Hydroxyl radicals reaction rate constant = 2.45E-11 cm³/molecule/s (2.11E-06 cm³/molecule/d), 
half-life 0 15.739 hours or 0.656 days (at 0.5E6 OH/cm³);
(EPIWEB version 4.1, AopWin v1.92)

Key value for chemical safety assessment

Half-life in air:
15.739 h
Degradation rate constant with OH radicals:
0 cm³ molecule-1 d-1

Additional information

The Hydroxyl radicals reaction rate constant of BNMA has been estimated to be 2.45E-11 cm³/molecule/s (2.11E-06 cm³/molecule/d), the half-life was calculated to 15.739 hours or 0.656 days (at 0.5E6 OH/cm³) using EPIWEB version 4.1, AopWin v1.92.