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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
Study period:
Between 29 July 1999 and 15 December 1999.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
HPLC Method, Method 117 of the OECD Guidelines for Testing of Chemicals, 30 March 1989.
Deviations:
not specified
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
No further details specified in the study report.
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.11
pH:
7.35
Remarks on result:
other: Temp not specified in the study report
Details on results:
Substances having a log10 Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment.
APAN is estimated to have a pKa of approximately 1.6. The pH of the mobile phase (7.35) was such that the test material was tested in its unionised form.

Definitive Test

Calibration

The retention time of thiourea and the reference standards

Dead time

Retention time (mins)

Mean retention time (mins)

Injection 1

Injection 2

Thiourea

2.622

2.417

2.520

 

Standard

Retention time (mins)

Mean retention time (mins)

Injection 1

Injection 2

Benzene

6.467

6.571

6.519

Toluene

8.354

8.483

8.419

Naphthalene

9.980

10.131

10.056

Phenanthrene

16.497

16.721

16.609

Triphenylamine

34.657

35.138

34.898

DDT

48.156

48.719

48.438

 

The capacity factors (k) and log10 Pow value for the reference standards

Standard

Capacity factor (k)

Log10 k

Log 10 Pow

Benzene

1.587

0.201

2.1

Toluene

2.341

0.369

2.7

Naphthalene

2.991

0.476

3.6

Phenanthrene

5.592

0.748

4.5

Triphenylamine

12.851

1.109

5.7

DDT

18.225

1.261

6.2

 

Partition coefficient of sample

The retention times, capacity factors and log10 Pow values determined for the sample

Injection

Retention time

(mins)

Capacity factor (k)

Log10 k

Log10 Pow

1

14.826

4.885

0.689

4.11

2

14.768

4.861

0.687

4.11

Mean log10 Pow: 4.11

Partition coefficient: 1.29 x 104

Conclusions:
The partition coefficient of APAN has been determined to be 1.29 x 104, log10 Pow 4.11.
Executive summary:

Partition coefficient determined as 1.29 x 104, log10 Pow 4.11, using the HPLC method, Method 117 of the OECD Guidelines for Testing of Chemicals, 30 March 1989.

Description of key information

Partition coefficient determined as 1.29 x 104, log10 Pow 4.11.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.11

Additional information

Partition coefficient determined as 1.29 x 104, log10 Pow 4.11, using the HPLC method, Method 117 of the OECD Guidelines for Testing of Chemicals, 30 March 1989.