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Environmental fate & pathways

Phototransformation in air

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Reference
Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Empirical Quantitative Structure-Activity Relationship (QSAR)
Estimation method (if used):
AOP Computer Program, Vers. 1.90, integrated in U.S. EPA's EPI program Vers. 3.10
Light source:
sunlight
Relative light intensity:
1
Details on test conditions:
Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³
DT50:
1.8 d
Test condition:
see above
Transformation products:
not specified

Rate constant (for indirect photolysis): approx. 0.0000000000088248 cm³/(molecule*sec)

Conclusions:
The rate constant of the OH radical sensitized indirect photodegradation of isophorone diisocyanate has been calculated using a well established QSAR method (AOP Computer Program, Vers. 1.90) as 8.8248E-12 cm³/(molecule*sec). This corresponds to a half-life of 1.8 days at a 24 hour mean OH radical concentration of 500000 molecule/cm³, which is typical of Central Europe.
Executive summary:

The rate constant of the OH radical sensitized indirect photodegradation of isophorone diisocyanate has been calculated using a well established QSAR method (AOP Computer Program, Vers. 1.90) as 8.8248E-12 cm³/(molecule*sec). This corresponds to a half-life of 1.8 days at a 24 hour mean OH radical concentration of 500,000 molecule/cm³, which is typical of Central Europe.

Description of key information

The rate constant of the OH radical sensitized indirect photodegradation of isophorone diisocyanate has been calculated using a well-established QSAR method (AOP Computer Program, Vers. 1.90) as 8.8248E-12 cm³/(molecule*sec). This corresponds to a half-life of 1.8 days at a 24 hour mean OH radical concentration of 500,000 molecule/cm³, which is typical of Central Europe.

Key value for chemical safety assessment

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

Additional information