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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:
18-19 june 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
6.21
Temp.:
20 °C
pH:
6.31
Details on results:
- pH of mobile phase: 6.31
- column temperature: 30 °C

Preliminary estimate:

The logPow was calculated to be 5.19.

Calibration:

Dead Time

Retention Time (mins)

Mean Retention Time

(mins)

 

Injection 1

Injection 2

Thiourea

1.045

1.045

1.045

Standard

Retention Time (mins)

Mean Retention

Time (mins)

Capacity

Factor (k')

Log k' 

Log Pow

 

Injection 1

Injection 2

 

 

 

 

Benzene

1.759

1.754

1.757

0.681

-0.167

2.1

Toluene

2.196

2.196

2.196

1.10

4.23 x 10-2

2.7

Naphthalene

2.614

2.609

2.612

1.50

0.176

3.6

Phenanthrene

4.534

4.519

4.526

3.33

0.523

4.5

Triphenylamine

9.465

9.422

9.444

8.04

0.905

5.7

DDT

12.818

12.741

12.779

11.2

1.05

6.5

Partition coefficient of sample:

Injection

Retention Time

(mins)

Capacity Factor (k)

Log k'

Log Pow

1

11.385

9.90

0.996

6.21

2

11.385

9.90

0.996

6.21

Description of key information

logPow: 6.21 at pH 6.31 (Method 117 of the OECD Guidelines using HPLC Method)

Key value for chemical safety assessment

Log Kow (Log Pow):
6.21
at the temperature of:
20 °C

Additional information