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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
17-20 October 1989
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1989
Report date:
1989

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-chlorobenzonitrile
EC Number:
212-836-5
EC Name:
2-chlorobenzonitrile
Cas Number:
873-32-5
Molecular formula:
C7H4ClN
IUPAC Name:
2-chlorobenzonitrile
impurity 1
Reference substance name:
unknown
IUPAC Name:
unknown
Test material form:
solid

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
Pow
Partition coefficient:
158
Temp.:
20 °C
pH:
> 5.96 - < 6.28
Key result
Type:
log Pow
Partition coefficient:
2.2
Temp.:
20 °C
pH:
> 5.96 - < 6.28

Any other information on results incl. tables

Analytic results of the determination of the partition coefficient of 2-Chlorobenzonitrile

Volume [ml]

Concentration after equlibration

Total amount after equilibration

n-octanol stock1) solution

Octanol

Milli-Q

Octanol [mg/l]

Milli-Q

[mg/l]

Octanol

[mg]

Milli-Q

[mg]

2

4

6

985

6.35

5.91

0.04

2

4

6

989

6.19

5.93

0.04

2

2

8

1542

9.35

6.17

0.07

2

2

8

1507

9.58

6.03

0.08

2

6

4

654

4.31

5.23

0.02

2

6

4

-

-

-

-

 1)n-octanol saturated with the test substance (2.85 g/L)

Applicant's summary and conclusion

Conclusions:
The Pow of 2-Chlorbenzonitrile was determined to be 158 (log Pow = 2.20) at 20.0 +/- 0.5 °C.
Executive summary:

This study was performed in compliance with Good Laboratory Practice (GLP).

This study was carried out in accordance with the OECD guideline for testing of chemicals number 107 (May 1981) and the EC method A.8, Official Journal of the European Communitites 92/69/EEC, No L 383 (Dec. 1992) with the shake flask method. The octanol/water partition coefficient (Pow) and its logarithm to base 10 (log Pow) were determined to be:

Pow        =  158 at 20.0 +/- 0.5°C

log Pow =   2.20 at 20.0 +/- 0.5°C