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Registration Dossier
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EC number: 947-557-4 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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.
Reference
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
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