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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:
8 May 2003 - 12 Aug 2003
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
GLP certifying authority: Hess. Ministerium für Umwelt, Landwirtschaft und Forsten, Wiesbaden, Germany
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
0.276
Temp.:
23 °C
pH:
4
Key result
Type:
log Pow
Partition coefficient:
-1.362
Temp.:
23 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
-1.58
Temp.:
23 °C
pH:
9

Final Result

The partition coefficient 1-octanol/water of the test substance at room temperature has been

determined at three different pH values (pH 4, 7, 9) to check for pH-dependence of the partition coeffficient,

according to the "flask-shaking" method described in guideline OECD 107 and 92/69/EEC, appendix, part A.8.

The partition coefficient (1-octanol/ water) of the test substance different pH-values is:

 pH

  4.0 (23 ºC)  7.0 (23 ºC)  9.0 (23 ºC)
 Log Pow  0.276 -1.362   -1.580
 Pow  1.89  0.043  0.026

Individual Results:

A significant dependence of the partition coefficient on the concentration could not be observed.

Partition coefficients and standard deviations at pH 4.0:

    Exp.

      Pow

  Log Pow

  Average Log Pow

         SD

     RSD (%)

 

A1

 

1.8768

 

0.2734

 

0.2687

 

0.0067

 

2.5

A2

1.8366

0.2640

 

B1

 

1.8488

 

0.2669

 

0.2662

 

0.0010

 

0.4

B2

1.8429

0.2655

 

C1

 

1.9838

 

0.2975

 

0.2934

 

0.0058

 

2.0

C2

1.9464

0.2892

 

Experiments1 to3:

 

0.2761

 

0.0150

 

5.4

Partition coefficients and standard deviations at pH 7.0:

Exp.

 

Pow

 

 Log Pow

 

Average Log Pow

 

SD..

 

RSD (%)

 

A1

A2

 

0.0366

0.0456

 

-1.4365

-1.3408

 

-1.3887

 

0.0677

 

4.9

 

B1

B2

 

0.0498

0.0449

 

-1.3031

-1.3476

 

-1.3254

 

0.0315

 

2.4

 

C1

C2

 

0.0394

0.0456

 

-1.4044

-1.3412

 

-1.3728

 

0.0447

 

3.3

 

Experiments1 to 3:

 

-1.3623

 

0.0329

 

2.4

Partition coefficients and standard deviations at pH 9.0:

 

Exp.

 

    Pow

 

Log Pow

''',,

Average Log Pow

,''

SD

 

 

'

'

RSD (%)

,'  ,'      '

 

A1

 

0.0229

 

-1.6404

 

-1.6128

 

0.0391

 

2.4

A2

0.0260

-1.5852

 

B1

 

0.0343

 

-1.4653

 

-1.4940

 

0.0406

 

2.7

B2

0.0300

-1.5227

 

C1

 

0.0287

 

-1.5425

 

-1.6336

 

0.1289

 

7.9

C2

0.0188

-1.7248

 

Experiments 1 to 3:

 

-1.5802

 

0.0753

 

4.8

Description of key information

The partition coefficient (OECD 107, shake-flask method) at 23 °C is:


pH = 4       Log Pow = 0.276 (Pow = 1.89)


pH = 7       Log Pow = -1.362 (Pow = 0.043)


pH = 9       Log Pow = -1.580 (Pow = 0.026)

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.362
at the temperature of:
23 °C

Additional information

Key value is at pH 7.