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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:
14-Aug-2013 to 30-Oct-2013
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)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
4.4
Temp.:
40 °C
Remarks on result:
other: The working temperature of the HPLC was 40 °C

Results

 

Preliminary estimate

The EPI suit prediction was used for the preliminary estimate.

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 3.93

 

Final measurements

 

Dead time measurement

Dead time

Retention time (mins)

Mean retention time (min)

Injection 1

Injection 2

Thiourea

1.916

1.935

1.926

 

Test results of reference standards

Standard

Retention time (min)

Mean retention time (min)

Capacity factor (k)1)

Log10k

Log Pow2)

Aniline

2.409

2.408

2.409

0.25

-0.6

0.9

Benzonitrile

2.625

2.637

2.631

0.37

-0.44

1.6

Toluene

3.483

3.488

3.486

0.81

-0.09

2.7

1,4-

Dichlorobenzene

4.076

4.075

4.076

1.12

0.05

3.4

Phenanthrene

5.199

5.174

5.187

1.69

0.23

4.5

Triphenylamine

7.820

7.794

7.807

3.05

0.48

5.7

 

1) k = (tr– t0) / t0

2)log Pow: reference standard value

 

Test results of sample

Sample name

Injection

Retention time (min)

Capacity factor (k)

Log10k

Log Pow

[test item]

1

5.127

1.66

0.22

4.4

2

5.150

1.67

0.22

4.4

Average

5.139

1.67

0.22

4.4

 

Results for [test item]

log Pow= 4.4 (calculated log Powvalue by HPLC calibration plot):

Partition coefficient = 2.37 × 104

Conclusions:
A log Kow of 4.4 (at 40 °C) was determined for the test substance according to OECD 117.

Description of key information

Log Pow: 4.4 at 40 °C (OECD 117, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
4.4
at the temperature of:
40 °C

Additional information