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EC number: 807-789-8 | CAS number: 111062-42-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance has a high surface activity
- Reason / purpose for cross-reference:
- data waiving: supporting information
- Reason / purpose for cross-reference:
- data waiving: supporting information
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (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:
- Verschueren (1983) reports that octanol-water partition coefficients can be estimated for a wide range of substances as follows:
Log Kow= 4.5 – 0.75 Log S
Where S = water solubility in mg/L - Guideline:
- other:
- Version / remarks:
- Verschueren (1983) calculation method
- Principles of method if other than guideline:
- Verschueren, K., 1983. Relationship between aqueous solubility and octanol/water partition coefficient. In: K. Verschueren, ed. Handbook of Environmental Data on Organic Chemicals. New York: Van Nostrand Reinhold Company Inc., pp. 24-27.
- GLP compliance:
- no
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other: calculated value
- Conclusions:
- It is not possible to measure the Log Kow as the substance is surface active. The Log Kow has been calculated based on the water solubility of >40% in water as Log Kow <0.30.
Referenceopen allclose all
Description of key information
The study does not need to be conducted because the substance has a high surface activity. The calculated value based on the water solubility of > 40% is Log Kow < 0.30.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.3
Additional information
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