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EC number: 212-836-5 | CAS number: 873-32-5
Partition coefficient
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:
- 1 989
- 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
- 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
- Reference substance name:
- unknown
- IUPAC Name:
- unknown
- Test material form:
- solid
Constituent 1
impurity 1
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
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