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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 18-July-2016 to 25-August-2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
Adopted 27 July 1995
Deviations:
no
GLP compliance:
no
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
Lithium trifluoromethanesulphonate
EC Number:
251-528-5
EC Name:
Lithium trifluoromethanesulphonate
Cas Number:
33454-82-9
Molecular formula:
CHF3O3S.Li
IUPAC Name:
lithium trifluoromethanesulphonate
Test material form:
solid: particulate/powder
Details on test material:
See confidential details on test material
Specific details on test material used for the study:
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temperature (< 30°C)

Results and discussion

Water solubilityopen allclose all
Key result
Water solubility:
ca. 1 246 g/L
Conc. based on:
test mat.
Incubation duration:
3 d
Temp.:
20 °C
pH:
3.37
Remarks on result:
other: Average solubility of 3 replicates. Measurement by ICP (1246 g/L by thermogravimetry)
Water solubility:
ca. 1 249 g/L
Conc. based on:
test mat.
Incubation duration:
3 d
Temp.:
20 °C
pH:
2.65
Remarks on result:
other: Average solubility of 3 replicates, Test in buffer solution of initial pH of 4, Measurement by thermogravimetry.
Water solubility:
ca. 1 232 g/L
Conc. based on:
test mat.
Incubation duration:
3 d
Temp.:
20 °C
pH:
3.54
Remarks on result:
other: Average solubility of 3 replicates, Test in buffer solution of initial pH of 7, Measurement by thermogravimetry.
Water solubility:
ca. 1 256 g/L
Conc. based on:
test mat.
Incubation duration:
3 d
Temp.:
20 °C
pH:
4.23
Remarks on result:
other: Average solubility of 3 replicates, Test in buffer solution of initial pH of 9, Measurement by thermogravimetry.
Details on results:
See section "Any other information on results incl. tables"

Any other information on results incl. tables

Preliminary test:

The approximate solubility is given in the table under that volume of water in which complete dissolution of the sample occurs.

0.1g soluble in "x" mL of water  0.1 0.5  1  2  10  100  >100 
Approximative solubility (grams per liter)  >1000 1000 to 200 200 to 100 100 to 50 50 to 10 10 to 1 <1

The approximate solubility established of Lithium Trifluoromethanesulfonate in water by this attempt is higher than 1000 g/L, according to the OECD guidelines.

Main test:

Water solubility

Results of the water solubility test on Lithium Trifluoromethanesulfonate at 20°C are given in the following table:

         Thermogravimetric analysis ICP-AES analysis      
 Sample

 Solubility in water (w%)

  Average solubility (w%) Standard deviation (w%)    Average solubility (w%)   Standard deviation (w%)  pH
One day         76.5 76.6        0.09        83.3        1.0        3.37
 76.6
 76.6
Two days 76.6  76.7        0.06        76.0        1.0         3.36
 76.7
 76.7
Three days         76.7 76.7        0.04        70.0        1.0         3.36
 76.6
 76.7

Standard deviation obtained by ICP-AES are larger due to the large value of measured solubility (more precise when measuring concentration <= 1w%). Measuring such high concentrations involved serial dilutions which increased the uncertainty of the results. Thus, thermogravimetric analysis is more adapted to measure the solubility of Lithium Trifluoromethanesulfonate.

The concentrations measured by the thermogravimetric technique do not differ by more than 15% (0.1%) therefore, the test is considered as valid. The water solubility is calculated with the nine values obtained as the equilibrium saturation is reached after one day. The standard deviation is calculated with the same values.

The water solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.6 ± 0.1 w%.

Solubility in buffer solutions

The average solubilities, summarized in the following table, are calculated with the nine values obtained as the equilibrium saturation is reached after one day. The standard deviation is calculated with the same values.

 pH (20°C) Average solubility (w%)  Standard deviation (w%) 
 4 76.8  0.1 
 7 76.4  0.1 
 9 76.9  0.1 

The pH of buffer solution has no effect on the solubility of lithium trifluoromethanesulfonate.

Applicant's summary and conclusion

Conclusions:
The water solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.6 +/- 0.1 w%., corresponding to 1246 g/L.
In a buffer solution of pH 4, the solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.8 +/- 0.1 w%, corresponding to 1249 g/L.
In a buffer solution of pH 7, the solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.4 +/- 0.1 w%, corresponding to 1232 g/L.
In a buffer solution of pH 9, the solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.9 +/- 0.1 w%, corresponding to 1256 g/L.
The pH of buffer solution has no effect on the solubility of lithium trifluoromethanesulfonate.
Executive summary:

The determination of the solubility of lithium trifluoromethanesulfonate in water and in different buffer solutions was performed according to standardised guidelines (OECD TG 105 and UE Method A.6) using the flask method followed by two analytical methods: ICP-AES and thermogravimetry.

After a preliminary test which demonstrated that the water solubility is higher than 1000 g/L at 20°C, 3 replicates were performed in parallel and measurements were done after 1, 2 and 3 days of incubation by thermogravimetric technique and ICP-AES analysis. The two methods of measurement did not differ by more than 15% (0.1%) therefore, both methods were considered as valid. The standard of deviation between the replicates was below 0.1 % and 1% for the thermogravimetric technique and the ICP-AES analysis respectively. The water solubility was calculated with the nine values obtained as the equilibrium saturation was reached after one day. The results were the following :

The water solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.6 ± 0.1 w%, which corresponds to 1246 g/L, and the pH of the saturated solution is 3.36.

As the test item dissociates in water, the impact of the pH on the water solubility has been determined following the same procedure in buffered solutions at pH 4, 7 and 9. Measurements were performed with the thermogravimetric technique only. As the equilibrium saturation was reached after one day, the water solubility was calculated with the nine values. The standard of deviation between the replicates was 0.1 %

The following results demonstrated that the pH of buffer solution has no effect on the solubility of lithium trifluoromethanesulfonate :

In a buffer solution of pH 4, the solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.8 +/- 0.1 w%, which corresponds to 1249 g/L, and the pH of the saturated solution is 2.65.

In a buffer solution of pH 7, the solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.4 +/- 0.1 w%, which corresponds to 1232 g/L, and the pH of the saturated solution is 3.54.

In a buffer solution of pH 9, the solubility of Lithium Trifluoromethanesulfonate at 20°C is 76.9 +/- 0.1 w%, which corresponds to 1256 g/L, and the pH of the saturated solution is 4.23.