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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Start : 19 March 2012 Completion : 29 June 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP study without deficiencies
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
OECD 107 - Estimation method
Deviations:
no
Principles of method if other than guideline:
A relatively high log Pow is expected based on the molecular structure of the test substance. Therefore, the shake-flask method is not applicable. The HPLC method cannot be applied because the test substance is a salt. Based on this, it was decided to use the estimation method for the determination of the Pow.
GLP compliance:
yes (incl. QA statement)
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Analytical method:
other: The solubility in water was described in section 4.8 Water solubility.001. The solublity of the test substance is determined in n-octanol and the Pow is determined directly as the quotient of these values.
Type:
log Pow
Partition coefficient:
> 6.6
Temp.:
20 °C
Remarks on result:
other: pH not available in estimation method
Details on results:
To determine the solubility in n-Octanol, the test substance was stirred with n-octanol at a nominal concentration of 1042 g/l at 20.0 ± 0.3°C for 90 hours (4 days). After stirring, the test sample was checked visually for any undissolved material.
Water solubility
Information on the water solubility of the test substance is given in section 4.8 Water solubility.001. The water solubility was 266 μg/l.

Pow = Cn-octanol / Cwater

Solubility in n-octanol > 1,000,000 mg/L

Solubility in water = 0.266 mg/L

The quotient of the n-octanol solubility and the water solubility (the Pow) is > 3.76e+6.

The log10 of the Pow > 6.6.

Conclusions:
The log Pow > 6.6.
Executive summary:

The partition coefficient of Calcium bis( di C8-C10, branched, C9 rich, alkylnaphthalene sulphonate) was determined by the estimation method following EU Method A.8 and OECD 107.

In the estimation method, the solubility of the test substance in n-octanol and in water is determined. The quotient of the n-octanol solubility and the water solubility is an estimation of the Pow. The estimation method can be applied if the shake flask method and HPLC method are not applicable.

n-Octanol solubility Test substance was stirred with n-octanol at a nominal concentration of 1042 g/l at 20.0 ± 0.3°C for 90 hours (4 days). After stirring, the test sample was checked visually for any undissolved material. Water solubility Information on the water solubility of the test substance is given in section 4.8 Water solubility.001. The water solubility was 266 μg/l.

Calculation of Pow and Log Pow

Solubility in n-octanol > 1,000,000 mg/L

Solubility in water = 0.266 mg/L

Therefore the quotient of the n-octanol solubility and the water solubility (Pow) > 3.76e+6 and the log10 of the Pow > 6.6.

Description of key information

The quotient of the n-octanol solubility and the water solubility (the Pow) is > 3.76e+6.
The log10 of the Pow > 6.6.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.6
at the temperature of:
20 °C

Additional information