Registration Dossier
Registration Dossier
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EC number: 237-159-2 | CAS number: 13674-87-8
Phototransformation in air
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Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Value calculated with AOPWIN
Data source
Reference
- Reference Type:
- other: Calculation from the RAR
- Title:
- Unnamed
Materials and methods
- Principles of method if other than guideline:
- Calculated with AOPWIN
Test material
Constituent 1
Results and discussion
Dissipation half-life of parent compound
- DT50:
- 21.3 h
Any other information on results incl. tables
The Syracuse Research program AOPWIN gives a predicted reaction rate constant of 18.08 x 10-12 cm3/molecule.sec. With the TGD model for photodegradation, this is equivalent to a half-life of 21.3 h. SMILES : O=P(OC(CCL)CCL)(OC(CCL)CCL)OC(CCL)CCL CHEM : 2-Propanol, 1,3-dichloro-, phosphate (3:1) MOL FOR: C9 H15 CL6 O4 P1 MOL WT : 430.91 ------------------- SUMMARY (AOP v1.90): HYDROXYL RADICALS ---------------- Hydrogen Abstraction = 18.0819 E-12 cm3/molecule-sec Reaction with N, S and -OH = 0.0000 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 = 0.0000 E-12 cm3/molecule-sec Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec OVERALL OH Rate Constant = 18.0819 E-12 cm3/molecule-sec |
Applicant's summary and conclusion
- Conclusions:
- A half-life in air of 21.3 hours has been proposed based on an OH radical concentration of 5 x 105 molecules/ml, which is the default in the TGD
(EC 2003).
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