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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
yes
Remarks:
pH not reported
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
yes
Remarks:
pH not reported
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:
2.6
Temp.:
20 °C
Remarks on result:
other: no data on pH available

Based on the chromatographic data, the test substance was considered to be stable during the test procedure.


 


Determination of the partition coefficient (n-octanol/water) of the test substance:





























































































 Number of analysisMean retention time (min)k'logk'logPow
Formamide (= dead time)21.43///
Reference items
Benzonitrile63.451.400.151.6
Nitrobenzene64.141.880.281.9
Anisole64.742.300.362.1
Bromobenzene67.764.410.643.0
Benzophenone68.164.690.673.2
1,4-Dichlorobenzene611.284.980.843.4
Test item36.083.240.512.6
Linear regressionslope0.350
y-axis intercept-0.396
coefficient regression0.992
Conclusions:
The partition coefficient of the substance was determined to be logPow = 2.6 at 20°C.

Description of key information

logPow = 2.6 at 20°C (HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
2.6
at the temperature of:
20 °C

Additional information

The experimentally determined logPow was supported by calculations using 3 different softwares:


- ACD/logP v12.00: logPow = 2.31 at 25°C (zwitterionic form)


- KOWWIN v1.67: logPow = 4.39 at 25°C


- SPARC v4.5: logPow = 4.39 at pH 5, 2.89 at pH 7 and 0.92 at pH 9, at 25°C