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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:
21.09 - 22.09.1998
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.98
Temp.:
35 °C
pH:
7
Remarks on result:
other: The obtained value can be considered to represent the value at ambient temperature.

The results with the reference substances were:

Reference item  log Pow retention time 1 (min) retention time 2 (min) k log k
Thiourea - 1.80 1.80  
Aniline 0.9 2.62 2.62 0.455 -0.342
Methyl benzoate 2.1 3.61 3.62 1.008 0.003
Benzophenone 3.2 5.04 5.05 1.804 0.256
Naphthalene 3.6 5.89 5.90 2.277 0.357
1.2.4-trichlorobenzene 4.2 9.01 9.01 4.006 0.603
n-butylbenzene 4.6 11.10 11.10 5.168 0.713
triphenylamine 5.7 18.10 18.12 9.062 0.957

The equation for the linear regression was: Log Pow = a log k + b

with a = 3.6099, b = 2.15757 and k = (retention time/dead time)-1

The correlation coefficient was determined to be 0.99444. The dead time was assessed using thiourea and is 1.80.

The results obtained for the test item:

Replicate Retention time k log k log Pow
1 7.55 3.19 0.50 3.98
2 7.55 3.20 0.50 3.98
average       3.98
Conclusions:
The partition coefficient n-octanol/water of the test item was determined to be log Pow = 3.98.
Executive summary:

In the current study the partition coefficient n-octanol/water of the test substance was assessed according to OECD No 117 and GLP. The method used was the reverse phase high performance liquid chromatographic method.

The partition coefficient n-octanol/water of the test item was determined to be log Pow = 3.98 at 35°C (temperature of the column), but the value obtained can be considered valid at ambient temperature.

Description of key information

The partition coefficient n-octanol/water of the test substance was determined to be log Pow = 3.98.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.98
at the temperature of:
20 °C

Additional information

One study is available in which the partition coefficient n-octanol/water of the test substance was assessed according to OECD No 117 and GLP. The partition coefficient n-octanol/water of the test item was determined to be log Pow = 3.98.