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Diss Factsheets

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
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
pH not reported
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
2.9
Temp.:
20 °C
Remarks on result:
other: pH not reported

Preliminary test:

Solubility in water / g/L

Solubility in n-octanol / g/L

Partition coefficient Po/w

Log Po/w

9.2 E-3

2.46

2.7E+2

2.4

No information is given pH.

1st test:

Compound

tr/ min

k

Log k

Log pow

Thiourea

2.64

 

 

 

Benzonitrile

4.33

0.642

-0.193

1.6

2,6-dichlorobenzonitrile

7.27

1.757

0.245

2.6

2,3-dichloroaniline

7.55

1.860

0.270

2.8

thymol

12.36

3.687

0.567

3.3

naphtalene

17.57

5.661

0.753

3.6

Benzyl benzoate

20.07

6.608

0.820

4.0

Test item

8.68

2.290

0.360

2.9

 

2nd test:

Compound

tr/ min

k

Log k

Log pow

Thiourea

2.64

 

 

 

Benzonitrile

4.33

0.642

-0.192

1.6

2,6-dichlorobenzonitrile

7.27

1.758

0.245

2.6

2,3-dichloroaniline

7.55

1.862

0.270

2.8

thymol

12.36

3.687

0.567

3.3

naphtalene

17.57

5.662

0.753

3.6

Benzyl benzoate

20.07

6.611

0.820

4.0

Test item

8.68

2.292

0.360

2.9

Description of key information

2.9 at 20 °C, no information is given on pH. 

Key value for chemical safety assessment

Log Kow (Log Pow):
2.9
at the temperature of:
20 °C

Additional information

The partition coefficient of the test item was determined with HPLC method according to OECD Guideline 117.