1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: OECD 105

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

no

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

EC Number:

218-056-1

EC Name:

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

Cas Number:

2043-57-4

Molecular formula:

C8H4F13I

IUPAC Name:

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

Test material form:

other: liquid at 22°C

Results and discussion

Water solubility

Water solubility:

30.7 µg/L

Temp.:

20 °C

pH:

5.8 - 6.4

Any other information on results incl. tables

8.RESULTS

8.1Measurements Column Elution Method

At the initial flow rate of 35 mL/h, the values given in the following table were measured:

Fraction	Volume of aqueous sample (V1)	pH of aqueous sample	Volume of HX after extraction and concentration (V2)	Amount in HX measured in GC (c2)	Solubility in Water (c1)
	mL		mL	mg/L	mg/L
1 (3h)	35.03	6.1	1.65	0.800	0.0377
2 (4h)	35.17	6.0	1.64	0.721	0.0335
3 (8h)	36.24	6.2	3.06	0.432	0.0365
4 (10h)	33.70	5.9	2.98	0.486	0.0430
5 (11h)	34.44	6.0	2.74	0.373	0.0297
Average					0.0361
Standard Deviation					0.0050

Concentration in water was calculated using the enrichment factor (volume of solution in hexane dividedby volume of aqueous sample) using the following formula: c1 = c2 x (V2/V1)

The recovery rate was calculated at more than 80% and do not take in account in these calculations.

According to the OECD guidelines, the concentrations of at least five fractions should be constant within ± 30% to determine the solubility of the substance.

In the case of the perfluorohexylethyliodide with an average solubility of 36.1 µg/L, to satisfy this condition the values of the tables should be in a range of 36.1± 10.8 µg/L, so between 25.3 µg/L and 46.9 µg/L; this was actually the case.

At a flow rate of 17.5 mL/h, half of the initial flow rate, the values given in the following table were measured:

Fraction	Volume of aqueous sample (V1)	pH of aqueous sample	Volume of HX after extraction and concentration (V2)	Amount in HX measured in GC (c2)	Solubility in Water (c1)
	mL		mL	mg/L	mg/L
1 (3h)	16.97	6.0	0.73	0.710	0.0304
2 (4h)	21.19	5.9	0.74	0.660	0.0231
3 (6h)	19.19	6.1	1.03	0.450	0.0242
4 (7h)	16.14	6.0	0.74	0.530	0.0244
5 (8h)	15.86	5.8	1.20	0.330	0.0249
Average					0.0254
Standard Deviation					0.0029

To satisfy the OECD condition, the values of the tables should be in a range of 25.4± 7.62 µg/L, so between 33.0 µg/L and 17.8 µg/L; this was actually the case. Finally, according to the OECD guidelines, the mean values obtained from two tests with different flows should not differ by more than 30%.

In the case of the perfluorohexylethyliodide, the average solubility of the two runs at different flow rateswas30.7 µg/L. To satisfy the 30% of error, the two values should be in the range from 21.5 µg/L to 39.9µg/L; this was also the case.

As all the conditions of the column elution method OECD were satisfied, the water solubility of theperfluorohexylethyliodide was defined as 30.7± 9.21 µg/L.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
In conclusion of this report, according to the OECD guideline 105, the following data for the perfluorohexylethyliodide was found: Water solubility= 30.7± 9.21 µg/L