1,2-dimethyl-3-propyl imidazolium bis((trifluoromethyl)sulfonyl)amide

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29 JAN 2016 to 05 FEB 2015

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 guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

adopted 27 july 1995

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Council Regulation (EC) No. 440/2008 of 31 May 2008. (Last updated by Reg. 260/2014)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Landesamt für Umwelt, Wasserwirtschaft und Gewerbeaufsicht, Mainz, Germany

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

1,2-dimethyl-3-propyl imidazolium bis((trifluoromethyl)sulfonyl)amide

EC Number:

805-807-9

Cas Number:

169051-76-7

Molecular formula:

C10H15F6N3O4S2

IUPAC Name:

1,2-dimethyl-3-propyl imidazolium bis((trifluoromethyl)sulfonyl)amide

Test material form:

liquid

Details on test material:

Appearance : colorless oil
Composition: a base stock containing (C, 28.64; H, 3.61; F, 27.18; N, 10.02; O, 15.26; S, 15.29)
Molecular formula : C10H15F6N3O4S2
Molecular Weight : 419.12 g/mol
Purity >99% (purity determined by MNR)
Homogeneity : homogeneous

Specific details on test material used for the study:

Batch: L15-0251
storage conditions : The test item was stored in a closed vessel at room temperature (20 ± 5°C)

Results and discussion

Water solubility

Key result

Water solubility:

7.76 g/L

Temp.:

20 °C

pH:

>= 3.23 - < 6

Any other information on results incl. tables

Preliminary test

The solubility could be limited to the range 1 - 10 g/L. Therefore, the flask method was used.

Measurements during Equilibration 

The data which was acquired during equilibration time (flask 1 A-C) is presented in the following table:

Table 8.1-a Equilibration

DAY	Temperature  [°C]	pH*	Conc.** DOC (Diluted sample) [mg/L]	Dilution factor	Conc. DOC(original sample) [g/L]	Conc. Test item [g/L]***	Difference to previous sample
1	19.5	5-6	225.9	10	2.259	7.889	-
2	19.5	5-6	226.0	10	2.260	7.890	0.0%
3	19.5	5-6	223.8	10	2.238	7.814	-1.0%

*measured using pH paper

**Conc. = Concentration

***calculated using calibration channel 500 ppm

 

The carbon content of the test item 28.64 % was used  in the calculation of the test item concentration from the measured DOC concentration in the terst solutions.

The measured value in the blank flask was 2.7 mg/L (< 1 % of the measured DOC concentration in the test item solution

After the analysis of the sample of day 3, the plateau was considered as reached.

Measurements at Plateau

The following table gives the values which were measured at the plateau. 

Table 8.2-a Plateau

Flask	2	3	4	5	6
pH	3.91	3.56	3.36	3.29	3.23
Concentration DOC (dilute sample) [mg/L]*	1079	431.6	227.4	222.6	110.1
Dilution factor	2	5	10	10	20
Concentration DOC (original sample) [g/L]	2.159	2.158	2.274	2.226	2.203
C Content [%]	28.64	28.64	28.64	28.64	28.64
Concentration Test Item [g/L]	7.538	7.535	7.941	7.771	7.691
Nominal Load Test Item [g/L]	10	30	60	80	100

* flasks 2-3 calculated using calibration channel 10000 ppm; flasks 4-6 using calibration channel 500 ppm

Temperature was measured with 20.0 ± 0.5 °C.

A standard deviation of 0.171 g/L was calculated, giving a relative standard deviation of 2.2 %. No dependency of solubility on amount of the test item (nominal load) was perceived.

Dependency of the pH values on amount of the test item (nominal load) was observed.

Results

All measurements were included in the calculation of the mean.

Table 8.3-a Measurements used for Calculation of Solubility

Flask	Concentration [g/L]	Total Mean [g/L]	Total Standard Deviation [g/L] (RSD* [%])
1A	7.889	7.76	0,16 (2.0)
1B	7.890
1C	7.814
2	7.538
3	7.535
4	7.941
5	7.771
6	7.691

* RSD = relative standard deviation

Mean at the plateau is 7.76 ± 0.16 g/L.

Applicant's summary and conclusion

Executive summary:

The solubility of L15-0251 in water was determined from the measured concentrations of DOC (dissolved organic carbon) in  the filtrated test solutions. The carbon content of the test item 28.64 % was used in the calculation of the test item concentration from the measured DOC concentration.

In the pre-test, the solubility could be limited to the range of 1 – 10 g/L. According to the guideline, the flask method was used for the determination of the solubility of the test item in water.

In the main test, six different loading rates of the test  item were chosen to study the effect of the loading rate on the measured water solubility: 10, 30, 50, 60, 80 and 100 g/L (nominal). Three flasks 1A - C with the same loading rate (50 g/L) were used during equilibration. Seven vessels (flasks blank, 1C (for the sampling point 72 h) and 2 – 6) were set onto the shaking apparatus immediately. After 24 ± 2 hours, flask 1B (for the sampling point 48 h) and after 48 ± 2 hours, flask 1A (for the sampling point 24 h) were set on the shaker and all flasks were shaken for further 24 ± 2 hours at room temperature (20.0 ± 0.5 °C).

Then, flasks 1A - 1C were taken from the shaker, samples were taken, membrane filtered and analysed for DOC via TOC analyser. Because of a difference of less than 15 % in the concentrations on days 2 and 3 and no upward tendency, the test was finished on day 3.  

The final measurement was performed as determination from flasks 2 – 6.  DOC was measured via TOC analyser in the saturated aqueous solutions. All filtrated test solutions showed no Tyndall effect (i.e. a laser beam was not scattered when transmitted through the liquid).  

No dependency of solubility on amount of the test item (nominal load) was perceived. But dependency of the pH values on amount of the test item (nominal load) was observed.

At the plateau, the concentration of L15-0251 in water had reached

7.76 ± 0.16 g/L at 20.0 ± 0.5 °C

= 7.76 ± 0.16 kg/m3 (SI units)

(mean value ± standard deviation of eight individual vessels)