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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:
2012-11-29
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)
Version / remarks:
2004
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
GLP compliance:
yes (incl. QA statement)
Remarks:
signed 2010-10-20
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
3.4
Temp.:
20.4 °C
Remarks on result:
other: no pH was determined
Details on results:
VALIDITY CRITERIA
Value of log Pow derived from repeated measurements made under identical conditions and using the same set of reference items fell within the range of ± 0.1 log units.
The correlation coefficient r for the calibration curves was 0.9804, r² was 0.9612.
The column temperature kept in the range of 20-25 ± 1 °C.

Determination of the Dead Time


























Serial no.



 t0[min]



 1



 0.627



 2



 0.654



 3



 0.681



 Mean ± SD



 0.654 ± 0.03



SD: Standard deviation


 


 


Calibration Data of the Reference Items



























































































Reference item



tR
[min]



tRMean
[min]



k



log k



log Pow



2-Butanone



1.000



1.00



0.530



-0.276



0.3



1.001



Acetanilide



1.038



1.04



0.588



-0.231



1.0



1.039



Acetophenone



1.228



1.23



0.879



-0.056



1.7



1.230



Chlorobenzene



2.372



2.37



2.63



0.419



2.8



2.372



Benzophenone



2.048



2.05



2.13



0.329



3.2



2.048



Phenanthrene



7.335



7.34



10.2



1.01



4.5



7.345



Dibenzyl



7.939



7.94



11.1



1.05



4.8



7.949



tR : retention time
k: Capacity factor reference item
log POW: Partition Coefficient (n-octanol / water) according to the guidelines


 


Retention Times, Capacity Factors and Partition Coefficients






































 



tR
[min]



k



logk



logPOW



∆ logPOW



Test Item



3.154



3.823



0.582



3.410



0.000



3.154



3.823



0.582



3.410



Mean



 


 


 



 


3.410



 



Confidence interval
(95 %)



 


3.006 -3.812



tR: Retention time


k: Capacity factor test item


Pow: Partition Coefficient (n-octanol / water) according to the guidelines


 

Conclusions:
According to OECD Guideline 117 (2004) and Regulation (EC) No 440/2008 Method A.8, the partition coefficient (log Pow) of the test item is 3.4 at 20.4°C.

Description of key information

The partition coefficient (log Pow ) of the substance is 3.4 at 20.4 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.4
at the temperature of:
20.4 °C

Additional information

The n-octanol/water partition coefficient was determined according to OECD Guideline 117, HPLC Method. The study was performed in compliance with GLP.