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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2017-2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Justification for type of information:
It was not possible to directly determine the partition coefficient using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 or Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
An estimate of partition coefficient was calculated using the solubility in n-octanol and the critical micelle concentration. The critical micelle concentration result was converted from g/L to % w/w using the assumption that the solution density was equivalent to that of water.
Reason / purpose:
reference to other study
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
other: An estimate of partition coefficient was calculated using the solubility in n-octanol and the critical micelle concentration
Principles of method if other than guideline:
An estimate of partition coefficient was calculated using the solubility in n-octanol and the critical micelle concentration
GLP compliance:
not specified
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
>= 1.61 - <= 1.62
Remarks on result:
other: Calculation based on solubility in n-octanol and critical micelle concentration
Conclusions:
The Pow of the test item is between 40.4 and 41.9 and the log Pow between 1.61 and 1.62
Executive summary:

It was not possible to directly determine the partition coefficient using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 or Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

An estimate of partition coefficient was calculated using the solubility in n-octanol and the critical micelle concentration. The critical micelle concentration result was converted from g/L to % w/w using the assumption that the solution density was equivalent to that of water. This gave a result of Pow between 40.4 and 41.9, log Pow between 1.61 and 1.62.

Description of key information

It was not possible to directly determine the partition coefficient using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 or Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

An estimate of partition coefficient was calculated using the solubility in n-octanol and the critical micelle concentration. The critical micelle concentration result was converted from g/L to % w/w using the assumption that the solution density was equivalent to that of water. This gave a result of Pow between 40.4 and 41.9, log Pow between 1.61 and 1.62.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.61
at the temperature of:
20 °C

Additional information