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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018-04-26
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
please refer to 'Attached justification'
Guideline:
other: ECHA Guidance R.6
Principles of method if other than guideline:
- Software tool(s) used including version: EPIWIN v4.1
- Model(s) used: KOWWIN v1.68
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
CCOC(O[K])=C(C#N)c1c(F)c(F)c(C#N)c(F)c1F
Key result
Type:
log Pow
Partition coefficient:
-1.99
Temp.:
25 °C
Remarks on result:
other: pH not specified in model
Conclusions:
The log Kow of the substance was predicted to be -1.99.
Executive summary:

The partition coefficient (octanol-water) of the registered substance was predicted using KOWWIN v1.68, implemented in EPIWIN v4.1. The log Kow was predicted to be -1.99.

Description of key information

The partition coefficient (octanol-water) of the registered substance was predicted using KOWWIN v1.68, implemented in EPIWIN v4.1. The log Kow was predicted to be -1.99.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.99
at the temperature of:
25 °C

Additional information