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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
Study period:
29 Apr - 06 May 2022
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
August 1996
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
April 2004
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:
5.4
Temp.:
25 °C
pH:
7
Details on results:
The partition coefficient was determined based on a calibration curve using nine reference items.
The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 5.4 at 25 °C using the HPLC-method.

Capacity Factor k' and log Pow of Reference Test Item





























































































Test itemRetention TimeCapacity Factorlog k'log Powlog Pow
1,4 Dichlorbenzol[min]   literature value
10 mg/L2.4732.0900.3203.8383.4
10 mg/L2.4712.0870.3203.8363.4
10 mg/L2.4712.0870.3203.8363.4
100 mg/L2.4822.1010.3223.8443.4
100 mg/L2.4782.0960.3213.8413.4
100 mg/L2.4742.0910.3203.8393.4
mean value2.4752.09203213.839 
standard deviation0.0040.0050.0010.003 
rel.standard deviation0.176%0.26%0.35%0.1% 

 


Capacity Factor k' and log Pow of Reference Items:





























































































ItemReplicate of analysisRetention Time[min]Capacity Factorlog Powlog k
Formamide (dead time)30.800n.a.n.a.n.a.
Anilin30.9340.1670.9-0.777
1-Naphthol31.3230.6532.7-0.185
4-Phenylphenol31.5610.9503.2-0.022
Diphenylamine31.9741.4663.40.166
1,2,4-Trichlorbenzene33.9343.9154.20.593
Phenanthrene34.4984.6214.50.665
Fluoranthene36.3756.9655.10.843
Triphenylamine39.24610.5525.71.023
DDT (Peak1;p,p'-DDT)313.45415.8106.51.199

 


Capacity Factor k' and log Pow of Test Item


















































































Test ItemRetention TimeCapacity Factorlog k'
log Pow
 [min]   
Test Item 5 mg/L7.1097.8830.8975.374
Test Item 5 mg/L7.0997.8700.8965.372
Test Item 5 mg/L7.0937.8630.8965.371
Test Item 50 mg/L7.1007.8710.8965.373
Test Item 50 mg/L7.1047.8760.8965.373
Test Item 50 mg/L7.1177.8930.8975.376
mean value7.1047.8760.8965.4
standard deviation0.0080.0110.0010.002
rel. standard deviation0.119%0.134%0.065%0.029%
Conclusions:
The partition coefficient was determined based on a calibration curve using nine reference items.
The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 5.4 at 25 °C using the HPLC-method.
Executive summary:

Test Method: The partition coefficient of the test item was estimated using HPLC-method. The solutions of the test item were injected three times in two different concentrations (< 5 mg/L and < 50 mg/L).


Results:


The partition coefficient was determined based on a calibration curve using nine reference items. The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 5.4 at 25 °C using the HPLC-method.


 

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
5.4
at the temperature of:
25 °C

Additional information