Registration Dossier

Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
not applicable
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Since experimental determination of log Kow is not possible, a QSAR prediction was added to the dossier for completeness.

Data source

Reference
Reference Type:
other: (Q)SAR
Title:
KOWWIN v 1.68
Author:
KOWWIN
Year:
2008
Bibliographic source:
EPI Suite, U.S. Environmental Protection Agency, www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Materials and methods

Test guideline
Qualifier:
no guideline required
Version / remarks:
Calculation method
Principles of method if other than guideline:
KOWWIN uses a "fragment constant" methodology to predict log P.  In a "fragment constant" method, a structure is divided into fragments (atom or larger functional groups) and coefficient values of each fragment or group are summed together to yield the log P estimate.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.08
Remarks on result:
other: QSAR estimate

Any other information on results incl. tables

The molecule fits into the applicability domain of the calculation method.

Applicant's summary and conclusion

Conclusions:
The calculated log Kow is 3.08
Executive summary:

The QSAR program KOWWIN v.1.68 available in EpiSuite was used to predict the partition coefficient. The calculated log Kow value is 3.08. The prediction falls within the applicability domain of the program.