Registration Dossier
Registration Dossier
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EC number: 617-219-8 | CAS number: 81334-34-1
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Scientifically acceptable method
Data source
Reference
- Reference Type:
- other: EPIWIN calculation
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
- Principles of method if other than guideline:
- Calculation using SRC AOP v1.92
- GLP compliance:
- no
Test material
- Test material form:
- solid
Constituent 1
Study design
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1500000 molecules/cm3
- Degradation rate constant: 34.5249 E-12 cm3/molecules*s
- Computer programme: SRC AOP v1.92
- Other: assuming a 12-hour day
Results and discussion
Dissipation half-life of parent compound
- DT50:
- 1.09 d
- Test condition:
- The substance is within the applicability domain of the models.
Degradation rate constant
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
Any other information on results incl. tables
AOP Program (v1.92) Results:
===========================
SMILES : n1cccc(C(=O)O)c1C2=NC(C)(C(C)C)C(=O)N2
CHEM : Imazapyr
MOL FOR: C13 H15 N3 O3
MOL WT : 261.28
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 8.4310 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 6.0200 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
**Addition to Aromatic Rings = 0.3018 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 14.7528 E-12 cm3/molecule-sec
HALF-LIFE = 1.088 Days (24-hr day; 0.5E6 OH/cm3)
HALF-LIFE = 26.101 Hrs
........................ ** Designates Estimation(s) Using ASSUMED Value(s)
------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Applicant's summary and conclusion
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