Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked

Phototransformation in air

Link to relevant study record(s)

Reference

Endpoint:

phototransformation in air

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

calculated 2013-01-15

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:

AopWin Computer Program, Vers. 1.92, integrated in U.S. EPA's EPI program Vers. 3.20

Estimation method (if used):

Atkinson R (1987). A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds. Int J. Chem. Kinet. 19, 799-828

Light source:

sunlight

Details on test conditions:

Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³ (approximate 24-hour mean in central Europe)

DT50:

3.6 h

Test condition:

Sensitiser (for indirect photolysis): OH; Sensitiser concentration: 500000 molecule/cm³

Validity criteria fulfilled:

not applicable

Conclusions:

The QSAR calculated rate constant for the OH sensitized photodegradation of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked (surrogate: blocked trimer) is approximately 106.4952 E-12 cm3/(molecule * s). At 500,000 OH radicals / cm3, this corresponds to a half-life of 3.6 hours.

Executive summary:

The QSAR calculated rate constant for the OH sensitized photodegradation of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked (surrogate: blocked trimer) is approximately 106.4952 E-12 cm3/(molecule * s) (AopWin Computer Program, Vers. 1.92, integrated in U.S. EPA's EPI program Vers. 3.20). At 500,000 OH radicals / cm3, this corresponds to a half-life of 3.6 hours.

Description of key information

The QSAR calculated rate constant for the OH sensitized photodegradation of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked (surrogate: blocked trimer) is approximately 106.4952 E-12 cm3/(molecule * s). At 500,000 OH radicals / cm3 (typical for central Europe), this corresponds to a half-life of 3.6 hours.

Key value for chemical safety assessment

Half-life in air:

3.6 h

Degradation rate constant with OH radicals:

0 cm³ molecule-1 d-1