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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 105, flask method
GLP compliance:
yes (incl. QA statement)
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
1.78
Temp.:
20 °C
Remarks on result:
other: estimated
Details on results:
The n-octanol solubility of the test item at 20.0°C is < 0.3 mg/L which is below the limit of detection.
The Iimit of detection as calculated from the calibration data was stated as final result.

As both solubilities could not be determined explicitly it is not possible to estimate a generally valid log Pow value.

For orientation purposes and for further assessements it can be suggested that the log Pow can be estimated using the results.

Estimation of logPow:

Pow= C(n-octanol) / C(water)= <0.3 mg/L / <0.005 mg/L = 60

logPow= <1.77815

The value of 1.78 is considered as worst-case.

Conclusions:
The partition coefficient of test substance was estimated to be log Pow= 1.78 at 20°C

Description of key information

Estimated based on solubility ratio:

Log Pow= 1.78 at 20°C

Key value for chemical safety assessment

Log Kow (Log Pow):
1.78
at the temperature of:
20 °C

Additional information

The log Pow value was estimated based on the solubility ratio. The solubility in n-octanol was determined by flask method according to the OECD Guideline 105 and the concentration was quantified by UV-Vis absorption.

As both solubilities could not be determined explicitly it is not possible to estimate a generally valid log Pow value. But for orientation purposes and for further assessements it can be suggested that the log Pow can be estimated using the results.