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EC number: 483-360-5 | CAS number: 114435-02-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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. - 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.
Reference
- 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
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
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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