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Partition coefficient

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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
Justification for type of information:
data is from experimental reports
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
The partition Coefficient test material was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.523
Temp.:
25 °C
pH:
6.86
Remarks on result:
other: no additional details available

Details of reference substances:

Reference Substance

LogPow

Tr1

Tr2

Tr3

MeantR ± S.D

K

Log k

Formamide

-

0.897

0.899

0.9

0.898 ± 0.001

-

-

Benzene

2.1

1.771

1.775

-

1.773±0.0028

0.886

0.052566278112949

Biphenyl

4

2.822

2.841

-

2.8315± 0.0134

2.011

0.30341207059674

Toluene

2.7

2.103

2.104

-

 2.1035 ± 0.0007

1.237

0.092369699629121

Ethylbenzene

3.2

2.519

2.527

-

2.523 ± 0.0056

1.6831

0.22610991999127

n-butylbenzene

4.6

 4.454

4.463

-

 4.4585 ± 0.0063

3.741

0.5729877081982

Napthalene

3.6

2.388

2.393

-

2.3905 ± 0.0035

1.5422

0.18814069878886

               

Test substance

K

Log k

Log POW by generalized calibration graph

Mean of logPOW ± S.D

Tr1

1.911

1.032258

0.013788

2.51821

2.52276±0.00064

Tr2

1.916

1.037575

0.16019

2.52731

Conclusions:
The Log Pow value for test material was determined to be 2.52276 ± 0.0064 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test material was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to structural similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, toluene, ethylbenzene, n-butylbenzene and napthalene having Pow value ranging from 2.1 to 4.6. The Log Pow value for test material was determined to be 2.52276 ± 0.0064 at 25°C.

Description of key information

The Log Pow value for test material was determined to be 2.52276 ± 0.0064 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.523
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to structural similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, toluene, ethylbenzene, n-butylbenzene and napthalene having Pow value ranging from 2.1 to 4.6.The Log Pow value for test material was determined to be 2.52276 ± 0.0064 at 25°C.