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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:
Experimental test result performed using standard test guidelines
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
To determine octanol water partition coefficient of test chemical by HPLC method
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:
3.525
Temp.:
25 °C
Remarks on result:
other: test chemical is hydrophilic nature

Reference substance

LogPow

Rt1

Rt2

Rt3

MeanRt±S.D.

k

Logk

Formamide

NA

0.897

0.899

0.9

0.899±0.006

0

0

4-Acetylpyridine

0.5

1.129

1.13

NA

1.1295±0.001

0.2577

-0.5889

Acetophenone

1.7

1.45

1.46

NA

1.455±0.007

0.455

-0.342

Benzophenone

3.2

2.448

2.393

NA

2.4205±0.039

1.695

0.2292

Phenol

1.5

1.279

1.278

NA

1.2785±0.001

0.4237

-0.3729

Benzene

2.1

1.501

1.504

NA

1.5025±0.002

0.6731

-0.1719

2,6-Diphenylpyridine

4.9

6.987

7.005

NA

6.996±0.013

6.79

0.8319

2-Nitrophenol

1.8

1.502

1.511

NA

1.5065±0.006

0.6776

-0.169

Nitrobenzene

1.9

1.567

1.564

NA

1.539±0.002

0.7138

-0.1464

Diphenylamine

3.4

2.739

2.753

NA

2.746±0.010

2.057

0.3132

n-Butylbenzene

4.6

7.963

7.966

NA

7.9645±0.002

7.8691

0.8959

Naphthalene

3.6

3.263

3.278

NA

3.2705±0.011

2.641

0.4218

Triphenylamine

5.7

15.592

15.706

NA

15.649±0.081

16.426

1.2155

 

Test substance

 

K

Log k

Log Pow

by Generalized Calibration

Graph

 

Mean of Log Pow ± S.D.

 

Rt1

3.155

2.509

0.400

3.521

3.525 ± 0.006

 

Rt2

3.172

2.528

0.403

3.530

 

Conclusions:
The partition coefficient (n-octanol/water) of test substance .was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.525 ± 0.006 dimensionless at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test chmeical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances were , 2,6-Diphenylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, n-Butylbenzene, Naphthalene, Triphenylamine were chosen having log Pow range from 0.5 to 5.7 The Log Pow value was determined to be 3.525 ± 0.006dimensionless at 25°C.

Description of key information

The partition Coefficient n-octanol/water of test chmeical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances were , 2,6-Diphenylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, n-Butylbenzene, Naphthalene, Triphenylamine were chosen having log Pow range from 0.5 to 5.7 The Log Pow value was determined to be 3.525 ± 0.006dimensionless at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.525
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of test chmeical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances were , 2,6-Diphenylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, n-Butylbenzene, Naphthalene, Triphenylamine were chosen having log Pow range from 0.5 to 5.7 The Log Pow value was determined to be 3.525 ± 0.006dimensionless at 25°C.