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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 25 January 2005 to 12 May 2005
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
GLP compliance
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
(2 December 2002)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Key result
Type:
Pow
Partition coefficient:
0.367
Temp.:
20.1 °C
pH:
> 3.8 - < 4.1
Key result
Type:
log Pow
Partition coefficient:
-0.435
Temp.:
20.1 °C
pH:
> 3.6 - < 4.1
Details on results:
- Preliminary estimate
Approximate solubility in n-octanol: 5.25 g/L
Approximate solubility in water: 19.9 g/L
Approximate Pow: 0.263
Log10 Pow: -0.579

- Definitive test
See "Any other information on results incl. tables"

- Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 100 mg/L. Correlation coefficients of 0.991 and 0.992 were obtained for the organic and aqueous matrices respectively, and although not ideal, were considered satisfactory for the purposes of the test.

- Discussion
Substances having a Log10 Pow of greater than 3 are regarded as having the potential to bioaccumulate in the environment.
lt was noted that the pH of the aqueous phases dropped slightly during partitioning. This was considered to be due to the minor amount of hydrofluoric acid present due to minor hydrolysis of the test material (from information provided by the Sponsor). As the test material had no mode of dissociation (and therefore it's determined Pow independent of pH), this was considered to have had a negligible effect on the results of the test.

- Definitive test

The mean peak heights obtained for the standard, stock and sample solutions are shown in the following two tables:

 

Table 1: Organic phase

Solution

Mean Peak Height

Standard 33.2 mg/L

Standard 34.6 mg/L

Sample 1

Sample 2

Sample 3

Sample 4

Sample 5

Sample 6

2.451 x 10E3

2.481 x 10E3

1.626 x 10E3

1.559 x 10E3

1.263 x 10E3

1.327 x 10E3

1.000 x 10E3

963.696

  

Table 2: Aqueous phase 

Solution

Mean Peak Height

Standard 33.2 mg/L

Standard 34.6 mg/L

Sample 1

Sample 2

Sample 3

Sample 4

Sample 5

Sample 6

Stock solution A

Stock solution B

2.961 x 10E3

3.022 x 10E3

1.057 x 10E3

1.086 x 10E3

867.263

866.745

622.453

635.552

1.588 x 10E3

1.714 x 10E3

 

Table 3: Total weights (mg) and analysed concentration (mg/L) of the respective phases 

Sample Number

Volume of Water Saturated n-octanol (mL)

Volume of Stock Solution (mL)

Total Weight (mg)*

Organic phase

Aqueous Phase

Analysed Concentration (mg/L)

Weight (mg)+

Analysed Concentration (mg/L)

Weight (mg)+

pH

1

230

115

108

223

51.4

599

68.9

3.7

2

210

105

98.2

214

45.0

615

64.6

3.6

3

280

70

65.5

174

48.6

491

34.4

3.8

4

280

70

65.5

182

51.1

491

34.4

3.8

5

336

42

39.3

138

46.2

353

14.8

4.1

6

336

42

39.3

132

44.5

360

15.1

4.0

pH of stock solution: 5.4

Temperature: 20.1 ± 0.5°C

 

Table 4: Determination of the partition coefficient for each sample 

Sample Number

n-Octanol/Water Volume Ratio

Partition Coefficient

Log10 Pow

Mean Partition Coefficient

1

2

2:1

0.373

0.348

- 0.428

- 0.458

0.361

3

4

4:1

0.353

0.371

- 0.452

- 0.430

0.362

5

6

8:1

0.390

0.368

- 0.409

- 0.434

0.379

Mean Pow: 0.367 – Log10 Pow: - 0.435 – Pow standard deviation: 1.50 x 10E-2

Conclusions:
The partition coefficient of the test material has been determined to be 0.367 at 20.1 ± 0.5°C, Log10 Pow - 0.435.
Executive summary:

The determination of the partition coefficient of Monofluoroethylene carbonate was performed using the shake-flask method according to OECD Guideline n°107 and EU Method A.8, under GLP conditions. The partition coefficient of the test material has been determined to be 0.367 at 20.1 ± 0.5°C, Log10 Pow - 0.435.

Description of key information

The partition coefficient of the test material has been determined to be 0.367 at 20.1 ± 0.5°C, Log10 Pow - 0.435.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.435
at the temperature of:
20.1 °C

Additional information