Registration Dossier

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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

Reference
Name:
Unnamed
Type:
Constituent

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).