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Environmental fate & pathways

Phototransformation in air

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phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Migrated phrase: estimated by calculation
Adequacy of study:
key study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Results based on QSAR modeling rather than measured data.

Data source

Reference Type:
study report

Materials and methods

Principles of method if other than guideline:
other: calculated
GLP compliance:

Test material

Study design

Estimation method (if used):
Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³
Atmospheric Oxidation (25 deg C) [AOPWIN® ver. 1.91]

Results and discussion

Test performance:
Atmospheric Oxidation (25 deg C) [AOPWIN® ver. 1.91]:
" Hydroxyl Radical Reaction:
o Reaction Rate Constant = 4.6026E-12 cm3/(mol*sec)
o OH radical conc (24 h ave) = 5.0E+05 mol/cm3 (EUTGD 2001)
o Half-Life = 3.5 Days
o Half-Life = 84 Hrs
" Overall Reaction Rate:
o Hydrolysis half-life = 0.89 Hrs (Gorman and Powell 1995)
o OH degradation half-life = 84 Hrs
o Overall reaction half-life = 8.0 Hrs

Rate constant (for indirect photolysis): 0.0000000000046026 cm³/(molecule*sec)
Degradation in % (for indirect photolysis): 50 after 3.5 day(s)

Any other information on results incl. tables

Atmospheric Oxidation (25 deg C) [AOPWIN® ver. 1.91]:

"        Hydroxyl Radical Reaction:

o        Reaction Rate Constant = 12.4E-12 cm3/(mol*sec)

o        OH radical conc (24 h ave) = 5.0E+05 mol/cm3 (EUTGD 2001)

o        Half-Life = 1.3 Days

o        Half-Life = 31 Hrs

Rate constant (for indirect photolysis):  0.0000000000124 cm³/(molecule*sec)

Degradation in % (for indirect photolysis):  50  after 1.3 day(s)

Applicant's summary and conclusion