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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19/06/2014-27/082014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Key result
Type:
Pow
Partition coefficient:
>= 1.02 - <= 1.05
Temp.:
21 °C
pH:
>= 7.6 - <= 8.5
Remarks on result:
other: Mean partition coefficient: 1.04
Details on results:
Mean Pow: 1.04
Log10 Pow: 0.0165

Partition coefficient results for each sample:

Sample Number

Organic/Aqueous Volume Ratio

Partition Coefficient

Log10Pow

Mean Partition Coefficient

1

1:1

1.04

1.83 x 10-2

1.04

2

1.04

1.75 x 10-2

3

2:1

1.03

1.41 x 10-2

1.03

4

1.02

8.70 x 10-3

5

1:2

1.05

2.22 x 10-2

1.05

6

1.05

1.82 x 10-2

 

Conclusions:
The partition coefficient for acrylonitrile was determined using a shake flask method in accordance with EU Method A8 and OECD Method 107, and Gas Chromatography for sample analysis. The organic/aqueous volume ratios used were 1:1, 2:1 and 1:2
The mean partition coefficient of acrylonitrile, CAS No 107-13-1, was determined to be 1.04 at 21.0 ± 0.2˚C, log10Pow 1.65x10-2
Executive summary:

The partition coefficient for acrylonitrile was determined using a shake flask method following EU Method A8 and OECD Method 107. Sample analysis was performed using a validated Gas Chromatography method. Under these conditions, the mean partition coefficient of acrylonitrile was determined to be 1.04 at 21.0 ± 0.2oC, log10 Pow 1.65x10-2. The pH values of the samples ranged from 7.6 to 8.5.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
0.11
Temp.:
25 °C
pH:
6.1 - 6.2
Details on results:
[Log Pow]
- Condition 1: 0.09, 0.13 (mean: 0.11)
- Condition 2: 0.11, 0.11 (mean: 0.11)
- Condition 3: 0.11, 0.12 (mean: 0.12)

The octanol-water partition coefficient (log Pow) of the test substance is reported to be 0.11 at 25 ˚C.

Conclusions:
The octanol-water partition coefficient (log Pow) of the test substance is reported to be 0.11 at 25 ˚C.
Executive summary:

The octanol-water partition coefficient (log Pow) of the test substance is reported to be 0.11 at 25 ˚C.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Published study
Qualifier:
no guideline followed
Principles of method if other than guideline:
Shake flask method
GLP compliance:
not specified
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
0.25
Temp.:
25 °C
Remarks on result:
other: pH not reported
Details on results:
The Log Pow for acrylonitrile is reported to be 0.25 at 25 oC.

The Log Pow for acrylonitrile is reported to be 0.25 at 25 oC.

Conclusions:
The Log Pow for acrylonitrile is reported to be 0.25 at 25 oC.
Executive summary:

The Log Pow for acrylonitrile is reported to be 0.25 at 25 oC.

Description of key information

A shake flask determination reported the partition coefficient as 1.04 at 21 oC, log10 Pow 1.65x10-2. The Log Pow for acrylonitrile is also reported to be 0.08-0.25 at 25 oC.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.017
at the temperature of:
21 °C

Additional information

The Log Powfor acrylonitrile is reported to be 0.25 at 25 oC (Pratesi et al., 1979), 0.11 at 25 oC (CITI, 1996) and 0.08 at 25 oC (BASF AG). The partition coefficient was measured using a shake flask method (Butler et al., 2014) to be 1.04 at 21 oC (log10 Pow 1.65x10-2).