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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
1. SOURCE: ChemIDplus, https://chem.nlm.nih.gov/chemidplus/rn/6283-92-7
2. SOFTWARE: http://www.srcinc.com/what-we-do/environmental/scientific-databases.html
Qualifier:
no guideline followed
Principles of method if other than guideline:
Physical property data is provided to ChemIDplus by SRC, Inc.
GLP compliance:
no
Type of method:
other: by SRC, Inc.
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.73
Temp.:
25 °C
pH:
7
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Values estimated with the Endpoint estimater in QSAR Toolbox.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Estimated value based on the various molecular fragments.
GLP compliance:
no
Type of method:
other: KOWWIN Program (v1.68)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
4.73
Temp.:
25 °C
pH:
7
Conclusions:
The Log Pow for the test material is estimated to be > 4.5.

Description of key information

The key value is based on the QSAR value for Propanoic acid 2-hydroxydodecyl ester.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.73
at the temperature of:
25 °C

Additional information