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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:
2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: see 'Justification for type of information'
Justification for type of information:
Guideline compliant water solubility and solubility in organic solvent studies were used for the calulation of Log Kow. Individual solubilities i.e., octanol solubility was divided by the value of water solubility/CMC and the Log of this value would correspond to Log Kow.
Reference:
Composition 1
Composition 2
Qualifier:
no guideline followed
Principles of method if other than guideline:
Since the test substance is a surface active material, the partition coefficient was determined by the estimation method using the n-octanol solubility of the test substance and the critical micelle concentration.
GLP compliance:
yes
Type of method:
other: estimated data (octanol solubility was divided by the value of water solubility/CMC and the Log of this value would correspond to Log Kow)
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
Batch no.: DEG4147039
Purity: 99.2% (w/w)
Appearance: white solid (powder)
Analytical method:
other: Calculation
Key result
Type:
Pow
Partition coefficient:
4 081.6
Temp.:
25 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
3.61
Temp.:
25 °C
pH:
7
Details on results:
- Under the study conditions, the octanol solubility of the test substance was determined to be 200 g/L in 1-octanol.
- Under the study conditions, the water solubility (critical micelle concentration) of the test substance was determined to be 49 mg/L at 25°C.
The Pow, calculated as the quotient of the n-octanol- and critical micelle concentration, was 4081.6. It corresponds to a log Pow value of 3.61.

Conclusions:
Under the study conditions, the partition coefficient (Pow) of the test substance was determined to be 4081.6 at 25°C. This corresponds to a log Pow value of 3.61.



Executive summary:

A study was conducted to determine the partition coefficient of the test substance using the estimation method. In this method, the solubility of the test substance in n-octanol and in water was determined. For surface active substance, the critical micelle concentration (CMC) was used as an alternative to the water solubility. The octanol solubility of the test substance was determined to be 200 g/L in 1-octanol and the water solubility (critical micelle concentration) of the test substance was determined to be 49 mg/L at 25°C. Under the conditions of the study, the partition coefficient (Pow) of the test substance was determined to be 4081.6 at 25 °C. This corresponds to a log Pow value of 3.61 (2012).

Description of key information

The partition coefficient was determined using an estimation method (involving the solubility in n-octanol and in water (CMC)) (2012)

Key value for chemical safety assessment

Log Kow (Log Pow):
3.61
at the temperature of:
25 °C

Additional information