Registration Dossier

Administrative data

Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculations, acceptable with restrictions
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
Kinetics and mechanisms of the gas-phase reactions of the hydroxyl  radical with organic compounds under atmospheric conditions.  
Author:
  Atkinson, R.
Year:
1985
Bibliographic source:
Chem. Rev. 85: 69-201

Materials and methods

Principles of method if other than guideline:
The estimation methods used by AOPWIN are based upon the structure-activity relationship (SAR) methods developed by Dr. Roger Atkinson and co-workers.  AOPWIN incorporates updated fragment and reaction values as cited in Kwok and Atkinson (1995).
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
Not reported

Study design

Light source:
not specified
Details on light source:
Not reported
Details on test conditions:
Not reported

Results and discussion

Preliminary study:
Not reported
Test performance:
Not reported
Degradation rate constant
Reaction with:
OH radicals
Rate constant:
0 cm³ molecule-1 s-1
Results with reference substance:
Not reported

Any other information on results incl. tables

Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.1610 E-12 cm3/molecule-sec Half-Life = 0.164 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.970 Hrs

Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs

Applicant's summary and conclusion

Conclusions:
The overall OH rate constant was calculated to be 65.1610 E-12 cm3/molecule-sec