Registration Dossier
Registration Dossier
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EC number: 204-977-6 | CAS number: 130-15-4
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:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- KOWWIN (the Log Octanol-Water Partition Coefficient Program) estimates the logarithmic octanol-water partition coefficient (log P) of organic compounds.
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals, ECHA, May 2008
- Principles of method if other than guideline:
- KOWWIN is designed to search a special database of nearly 13700 experimental log Kow values and display a value when found. The database and its index file,are named "EXPKOW.DB" and "EXPKOW.IDX", respectively. KOWWIN generates a "structure-representation" for each SMILES entry and then searches the database for a matching "structure-representation".
- GLP compliance:
- no
- Type of method:
- other: Calculation
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.71
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR predicted value
- Executive summary:
The partition coefficient of 1,4-naphthoquinone was predicted by KOWWIN to be log Kow= 1.71.
Reference
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.71
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of 1,4-naphthoquinone was calculated to be Log Kow=1.71.
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