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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2018-04-24
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 QPRF/QMRF report
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:
CC(=O)CC(C)=O
Type:
log Pow
Partition coefficient:
0.05
Temp.:
25 °C
Remarks on result:
other: pH not specified in model
Conclusions:
The logPow for 2,4-pentanedione predicted by KOWWIN v1.68 is 0.05. The prediction is in the applicability domain of the model.
Executive summary:

The logPow of 2,4 -pentanedione was predicted by KOWWIN v1.68 implemented in EPIWIN v 4.1. It was predicted to be 0.05. This prediction falls within the applicability domain of this model.

Description of key information

The logPow of 2,4 -pentanedione was predicted by KOWWIN v1.68 implemented in EPIWIN v 4.1. It was predicted to be 0.05. This prediction falls within the applicability domain of this model.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.05

Additional information