Registration Dossier

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018

Materials and methods

Principles of method if other than guideline:
QSAR
The Kow which were calculated were derived from EPIWIN program (KOWWIN v1.67 or v1.68) of the US EPA (Environmental protection Agency )
1. SOFTWARE
EPIWIN program (KOWWIN v1.67 or v1.68) of the US EPA (Environmental protection Agency )
2. MODEL (incl. version number)
v1.68

GLP compliance:
no
Remarks:
not required because QSAR
Other quality assurance:
other:
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
additive
Test material form:
liquid
Details on test material:
- State of aggregation: not applicable
- Activation: not required
water as a additive
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
not applicable because several individual structures calculated

Study design

Analytical method:
other:

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
>= -1.71 - <= 0.08
Temp.:
25 °C
Remarks on result:
other: QSAR
Remarks:
calculated for proofed and postulated constituents, imidazole only for comparison

Applicant's summary and conclusion

Conclusions:
Kow calculated by EPIWIN program was -0.93 to 1.58 for all constituents
Not ready
Executive summary:

Kow calculated by EPIWIN program (KOWWIN v1.67 or v1.68) of the US EPA (Environmental protection Agency) QSAR was -0.93 to 1.58  for all constituents

Not ready