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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 APR 2000 - 14 JUN 2000
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
guideline 92/69/EEC
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
> 4.7
Temp.:
40 °C
Remarks on result:
other: pH not relevant
Details on results:
Determination of the dead time t0:
Regression: tR (nc +1) = a + b tR (nc)
Parameters: a = -1.1515; b = 1.4758; r^2 = 1.0000
Dead time: t0 = a / (1-b) = 2.420 min

Calibration data:
Regresssion: log Pow = a + b log k'
Parameters: a = 3.004; b = 3.038; r^2 = 0.9238

log Pow of the test substance
1st injection: tR = 16.17 min
2nd injection: tR = 16.19 min
mean: tR = 16.18 min
k' = 5.69
log k' = 0.75
log Pow = 5.3
Conclusions:
The logPow was found to be > 4.7 (Pow > 50119).
Executive summary:

The partition coefficient n-octanol/water of the test substance was determined according to the "HPLC method" described in guideline 92/69/EEC, appendix, A.8, following GLP. The logPow was found to be > 4.7 (Pow > 50119), referred to log Pow of the standard fluoranthene. The calculated log Pow is 5.3 which is outside the calibration area.

Description of key information

The partition coefficient n-octanol/water of the test substance was determined according to the "HPLC method" described in guideline 92/69/EEC, appendix, A.8, following GLP. The logPow was found to be > 4.7 (Pow > 50119), referred to log Pow of the standard fluoranthene. The calculated log Pow is 5.3 which is outside the calibration area.

Key value for chemical safety assessment

Log Kow (Log Pow):
5.3
at the temperature of:
40 °C

Additional information