4-fluoro-1,3-dioxolan-2-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

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 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

(2 December 2002)

Type of method:

flask method

Key result

Water solubility:

> 28.3 - < 30.6 other: % w/w

Temp.:

20 °C

Remarks on result:

other: not applicable due to the high saturation levels produced

Details on results:

The results of preliminary test and definitive testing are presented below in "Any other information on results incl. tables".

Discussion:
The standard A6 Method was not applicable to this test material due to the high saturation levels produced. It was therefore not possible to prepare samples at five times the saturation level as recommended in the guideline.
No analysis was performed due to the difficulty in separating highly concentrated mixtures and thus the water solubility was estimated based on visual inspection.
The standard units of concentration stated in the method guidelines (g/L and kg/m3) are not applicable due to the high saturation concentrations obtained. This is due to large changes in the total volume of solution on addition of large quantities of test material. Based on the initial volumes of water taken (assuming 1 g equals 1 mL) 28.3 to 30.6% w/w roughly converts to 395 to 440 g/L, although these converted solubility figures should only be taken to be approximate in
view of the previous statement.
It was noted that the preliminary results were slightly lower than expected, compared to the definitive testing. This was considered to be due to the smaller vessels used for the preliminary test, which may have hampered mixing whilst being shaken.
From information provided by the Sponsor, it was considered that the low pH observed for the samples was due to hydrogen fluoride present, formed following slight hydrolysis of the test material during shaking.

- Preliminary test

Table 4: Observations, concentrations and pH’s relating to the preliminary samples 

Sample number	Concentration (% w/w)	Observations	pH
1	10.3	Homogeneous, colourless solution. No visible excess test material	1.2
2	20.2	Homogeneous, colourless solution. Very small amount of excess test material present as crystals.	1.6
3	30.1	Colourless solution with excess test material present as a liquid and as crystals.	2.1
4	40.0	Colourless solution with excess test material present as a liquid and as crystals.	2.0
5	50.0	Colourless solution with excess test material present as a liquid and as crystals.	2.0
6	60.2	Colourless solution with excess test material present as a liquid and as crystals.	2.0

The preliminary test indicated that the water solubility was in the range of 10 to 30% w/w.

- Definitive testing

Table 5: Observations, concentrations and pH’s relating to the definitive testing samples 

Sample number	Concentration (% w/w)	Observations	pH
1	12.0	Single, homogeneous colourless solution. No excess test material present.	1.6
2	14.1	Single, homogeneous colourless solution. No excess test material present.	1.6
3	16.1	Single, homogeneous colourless solution. No excess test material present.	1.6
4	18.1	Single, homogeneous colourless solution. No excess test material present.	1.7
5	20.4	Single, homogeneous colourless solution. No excess test material present.	1.7
6	22.0	Single, homogeneous colourless solution. No excess test material present.	1.7
7	24.0	Single, homogeneous colourless solution. No excess test material present.	1.7
8	26.2	Single, homogeneous colourless solution. No excess test material present.	1.8
9	28.3	Single, homogeneous colourless solution. No excess test material present.	1.8
10	30.6	Clear, colourless solution, containing excess test material at bottom of flask.	2.0
11	40.3	Clear, colourless solution, containing excess test material at bottom of flask.	2.0
12	50.4	Clear, colourless solution, containing excess test material at bottom of flask.	2.0
13	60.0	Clear, colourless solution, containing excess test material at bottom of flask.	1.8
14	70.0	Clear, colourless solution, containing excess test material at bottom of flask.	1.8
15	80.0	Small amount of clear, colourless solution, mostly excess test material.	1.7

 

The definitive test showed the water solubility to be in the range 28.3 to 30.6 % w/w of solution at 20.0 ± 0.5°C.

Conclusions:

The water solubility of the test material has been determined to be in the range 28.3 to 30.6% w/w of solution at 20.0 ± 0.5°C.

Executive summary:

The determination of the water solubility of Monofluoroethylene carbonate was performed using the flask method according to OECD Guideline n°105 and EU Method A.6, under GLP conditions. The water solubility of the test material has been determined to be in the range 28.3 to 30.6% w/w of solution at 20.0 ± 0.5°C.

Description of key information

The water solubility of the test material has been determined to be in the range 28.3 to 30.6% w/w of solution at 20.0 ± 0.5°C. Based on the initial volumes of water taken (assuming 1 g equals 1 mL) 28.3 to 30.6% w/w roughly converts to 395 to 440 g/L, although these converted solubility figures should only be taken to be approximate in view of the previous statement. In any case the substance is deemed to be well soluble in water with the upper approximate value selected as the key value.

Key value for chemical safety assessment

Water solubility:

440 g/L

at the temperature of:

20 °C