(1E)-1-chloro-3,3,3-trifluoroprop-1-ene

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

ca. 1 900 mg/L

Temp.:

20 °C

pH:

>= 7.5 - <= 7.6

Details on results:

The maximum difference (MD) of the concentrations determined in the 1, 3 and 5 hour test samples was <15 %. According to the guidelines, the water solubility of the test substance is given as the mean value of the analysed concentrations.

A small response at the retention time of the test substance was observed in the blank treated sample. The maximum contribution of the response to the test samples based on peak area was 0.24 %. Based on this it was considered that the response had no significant effect on the results of the test samples.

The mean water concentration was 1.9 g/liter

 

Stirring time (hours)	Measured concentration (g/L)	pH
1	1.86	7.6
3	1.94	7.6
5	1.89	7.5

 

 

Conclusions:

The substance has a water solubility of 1900 mg/L

Executive summary:

The water solubility of the test substance was determined in a study according to OECD TG 105 (shake flask method) and in compliance with GLP criteria (NOTOX BV, 2010). In this study, three aliquots of the test substance were prepared at nominal concentrations of approximately 5000 mg/L (no headspace). The three vessels were then stirred for either 1, 3 or 5 hours. In each water sample after the stirring periods an excess of the liquid test substance was observed at the bottom of the vial. Centrifugation or filtration to remove the excess of the test substance was not required since the excess of the test substance was phase separated from the water at the bottom of the vial. Subsamples of the clear aqueous phases were 1000 times diluted to obtain an end solution of water containing 1 % (v/v) acetonitrile and concentrations within the prepared calibration range. The pH of each of the water mixtures was determined. As the blank, the same volume of double distilled water was stirred for 5 hours. The blank solution was pretreated identically as the water samples from the flask method. From the three tests water solubilities of 1860 mg/L, 1940 mg/L and 1890 mg/L were reported after respective stirring times of 1, 3 and 5 hours. The maximum difference (MD) of the concentrations determined in the 1, 3 and 5 hour test samples was <15 %. According to the guidelines, the water solubility of the test substance is given as the mean value of the analysed concentrations. A small response at the retention time of the test substance was observed in the blank treated sample. The maximum contribution of the repsonse to the test samples based on peak area was 0.24 %. Based on this it was considered that the response had no significant effect on the results of the test samples. Based on these data, the water solubility of test substance was determined at 1900 mg/L at 20 °C and pH 7.5.

Description of key information

1900 mg/L in water at pH 7.5 and 20 °C, flask method, OECD TG 105.

Key value for chemical safety assessment

Water solubility:

1 900 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the test substance was determined in a study according to OECD TG 105 (shake flask method) and in compliance with GLP criteria (NOTOX BV, 2010). In this study, three aliquots of the test substance were prepared at nominal concentrations of approximately 5000 mg/L (no headspace). The three vessels were then stirred for either 1, 3 or 5 hours. In each water sample after the stirring periods an excess of the liquid test substance was observed at the bottom of the vial. Centrifugation or filtration to remove the excess of the test substance was not required since the excess of the test substance was phase separated from the water at the bottom of the vial. Subsamples of the clear aqueous phases were 1000 times diluted to obtain an end solution of water containing 1% (v/v) acetonitrile and concentrations within the prepared calibration range. The pH of each of the water mixtures was determined. As the blank, the same volume of double distilled water was stirred for 5 hours. The blank solution was pretreated identically as the water samples from the flask method. From the three tests water solubilities of 1860 mg/L, 1940 mg/L and 1890 mg/L were reported after respective stirring times of 1, 3 and 5 hours. The maximum difference (MD) of the concentrations determined in the 1, 3 and 5 hour test samples was <15 %. According to the guidelines, the water solubility of the test substance is given as the mean value of the analysed concentrations. A small response at the retention time of the test substance was observed in the blank treated sample. The maximum contribution of the repsonse to the test samples based on peak area was 0.24 %. Based on this it was considered that the response had no significant effect on the results of the test samples. Based on these data, the water solubility of test substance was determined to be 1900 mg/L at 20 °C and pH 7.5.