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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2000
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted by a well experienced research laboratory and in accordance with several internationally acknowledged guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2000
Report date:
2000

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
yes
Remarks:
Acetonitrile/water was used as mobile phase instead of methanol / water
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
yes
Remarks:
Acetonitrile/water was used as mobile phase instead of methanol / water
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
yes
Remarks:
Acetonitrile/water was used as mobile phase instead of methanol / water
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
Chlorobenzoylacetonitril
IUPAC Name:
Chlorobenzoylacetonitril
Test material form:
other: solid
Details on test material:
- Name of test material (as cited in study report): Chlorobenzoylacetonitril
- Physical state: solid
- Analytical purity: > 99%
- Purity test date: 22 Dec 1999
- Lot/batch No.: 46
- Storage condition of test material: stored at 4°C in original container

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.8
Temp.:
30 °C

Any other information on results incl. tables

Capacity Factor k' and log Pow of the Reference compounds

Compound   Number of analysis  Retention time [min]*  Capacity Factor  log k'  log Pow
 Formamide (=dead time)  3  3.76  -  -  -
 Reference compounds          
 Methyl-4 -pyridylketon 3  4.67  0.2  -0.62  0.5
 Benzonitrile  3  6.16  0.6  -0.19  1.6
 Nitrobenzene  3  6.83  0.8  -0.09  1.9
 Methylbenzoate  3  7.33  0.9  -0.02  2.1
 Chlorobenzene  3  10.52  1.8  0.25  2.8

*mean value of three measurement

The log k' values were plotted against log Pow values yielding the function below by linear regression:

y=0.379*x-0.808; R2=0.999

Capacity Factor k' and log Pow of the Test Substance

 Compound  Number of analysis  Retention time [min]  Capacity Factor  log k'  log Pow
 2 -Chlorbenzoylacetonitril  1  5.07  0.3  -0.52  0.8
 2 -Chlorbenzoylacetonitril  2  5.07  0.3  -0.52  0.8
 2 -Chlorbenzoylacetonitril  3  5.07  0.3  -0.52  0.8
 mean value    5.07  0.3  -0.52  0.8

Applicant's summary and conclusion

Conclusions:
The log Pow of Chlorobenzoylacetonitrile was determined to be 0.8 at 30°C.