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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:
From August 4, 1999 to August 4, 1999
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
-6.2
Temp.:
20 °C
pH:
6.3
Details on results:
- Solubility of the test substance (average) in n-octanol: 0.134 mg/L (corrected for a purity of 58%: 0.0777 mg/L).
- The saturation concentration of the test substance in water was determined in project EO 036-99 (122.1 g/L (corrected for a purity of 58%)).
- Calculation of the n-octanol/water partition coefficient:
Pow: 0.0777 mg/L / 122100 mg/L= 6.36 x 10-7
log Pow: -6.20

Determination of the saturation concentration of test substance in n-octanol

 

Experiment

Stirring time (h)

Concentration (mg/L)

Peak areas

n-octanol solubility (mg/L)

Standard 1

 

0.11628

1.250

 

Experiment 1

3

 

1.659

0.154

Standard 2

 

0.11908

1.374

 

Experiment 1

3

 

1.659

0.144

Standard 2

 

0.11908

1.374

 

Experiment 2

3

 

1.324

0.115

Standard 3

 

0.10814

1.169

 

Experiment 2

3

 

1.324

0.122

 

Solubility in n-octanol:

Solubility of the test substance (average) in n-octanol: 0.134 mg/L (corrected for a purity of 58%: 0.0777 mg/L).

Standard deviation: 0.018mg/L

 

The saturation concentration of the test substance in water was determined in project EO 036-99 (122.1 g/L (corrected for a purity of 58%)).

Conclusions:
Under the study conditions, the log Pow of the test substance was found to be -6.20 at 20°C.
Executive summary:

A study was conducted to determine the partition coefficient of the test substance according to EU Method A.8, in compliance with GLP.

 

The partition coefficient of the test substance was determined according to flask-shaking method. Samples were prepared in aqueous and n-octanol phases. After sample preparation, the concentration of the test substance was determined by HPLC.

 

The saturation concentration of the test substance in water was determined to be 122.1 g/L and the octanol solubility was found to be 0.0777 mg/L.

Under the study conditions, the partition coefficient n-octanol/water of the test substance at 20°C, performed according to the flask method was determined to be -6.20.

Description of key information

The partition coefficient n-octanol/water of the test substance at room temperature was determined to be -6.20 (Mühlberger, 1999).

Key value for chemical safety assessment

Log Kow (Log Pow):
-6.2
at the temperature of:
20 °C

Additional information

Log Kow (log Pow) -6.20.