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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated result with ACD/LogD Suite Program, Version 10, Advanced Chemistry Development, Toronto, Canada
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report Date:
2009

Materials and methods

Test guideline
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
yes
Remarks:
calculation
Principles of method if other than guideline:
Calculated result with ACD/LogD Suite Program, Version 10, Advanced Chemistry Development, Toronto, Canada
GLP compliance:
no
Type of method:
other: QSAR-method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
ca. 1.66
pH:
4
Type:
log Pow
Partition coefficient:
ca. 1.66
pH:
7
Type:
log Pow
Partition coefficient:
ca. 1.53
pH:
9
Details on results:
Result of partition coefficient shows the Log Pow for the undissociated form, which is existent above pH = 8.5 in the acid range, is 1.66. Above pH
value of 8.5 the partition coefficient decreases sharply. In the ecological relevant neutral pH range the substance is predominantly undissociated.
(calculated result with ACD/LogD Suite Program, Version 10, Advanced Chemistry Development, Toronto, Canada).

Any other information on results incl. tables

Calculated result with ACD/LogD Suite Program, Version 10, Advanced Chemistry Development, Toronto, Canada

Applicant's summary and conclusion

Conclusions:
Result of partition coefficient shows the Log Pow 1.66 (calculated result with ACD/LogD Suite Program, Version 10, Advanced Chemistry Development,Toronto, Canada)