1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane

Henry's Law constant

Administrative data

Endpoint:

Henry's law constant

Type of information:

experimental study

Adequacy of study:

key study

Study period:

28 September 2012 - 04 October 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Test procedure in accordance with generally accepted scientific standards and under GLP.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2012

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: calculation based on experimental data

Deviations:

not applicable

Principles of method if other than guideline:

Henry's Law Constant was determined by measuring the Novec 7300 concentrations in gas-phase and in aqueous-phase for a given test system vessel at equilibrium conditions and at ambient temperature and pressure.

GLP compliance:

yes

Test material

Test material information

Constituent 1

Reference substance name:

Novec 7300

IUPAC Name:

Novec 7300

Details on test material:

- Name of test material (as cited in study report): Novec 7300
- Physical state: Colorless, clear liquid
- Analytical purity: 99.85%

Results and discussion

Henry's Law constant H

H:

2 770 dimensionless

Temp.:

22 °C

Atm. press.:

760 mm Hg

Any other information on results incl. tables

Henry's Law constant (HLC) result is reported as a dimensionless ratio of headspace concentration of Novec 7300 over aqueous phase concentration.

The average Henry's Law constant for Novec 7300 was 2770, with %RSD of 4.9% (Table 1). The Henry's Law constant expressed as log HLC is 3.4, with %RSD of 0.61% (Table 2).

All measured water concentrations of Novec 7300 were approximately 5 ng/mL, which was well below the measured water solubility of 295 ng/mL (10% RSD). These water levels indicate that the Novec 7300 dosing gas did not produce a saturated system at equilibrium.

Henry’s Law constants were also measured for tetrafluoroethylene (TFE) using the same analytical approach for Novec 7300 to demonstrate the validity of the analytical techniques. In this study, the log HLC for TFE was 1.5 (%RSD = 2.6) for test vessels containing approximately 50% headspace. The TFE result was within 10% of the literature value.

Table 1: Summary of Henry’s Law Constant (HLC) for Novec 7300

 

Ratio (Headspace: Aqueous)	Replicate	Time point 1 (Three days)	Time point 2 (Four days)	Time point 3 (Five days)
70 % Headspace	1	2810	2680	2640
	2	2950	2660	2640
	Average	2880	2670	2640
	%RPD	4.9	0.75	0
50 % Headspace	1	N/A*	2680	2660
	2	3030	2590	2680
	Average	3030	2640	2670
	%RPD	N/A	3.4	0.75
30 % Headspace	1	2890	2800	2800
	2	3020	2800	2710
	Average	2960	2800	2760
	%RPD	4.4	0	3.3
Intra-Time Point Average % RSD		2940 3.1	2700 3.1	2690 2.3
Overall Average %RSD		2770 4.9

 

·       ThekH,ccfor Replicate 1 was determined to be a statistical outlier using the Dixon’s Q test and was

Excluded from the determination of the averagekH,ccvalue.

Table 2: Summary of Log (HLC) for Novec 7300

 

Ratio (Headspace: Aqueous)	Replicate	Time point 1 (Three days)	Time point 2 (Four days)	Time point 3 (Five days)
70 % Headspace	1	3.4	3.4	3.4
	2	3.5	3.4	3.4
	Average	3.5	3.4	3.4
	%RPD	0.61	0.09	0.00
50 % Headspace	1	NR*	3.4	3.4
	2	3.5	3.4	3.4
	Average	3.5	3.4	3.4
	%RPD	NA	0.43	0.09
30 % Headspace	1	3.5	3.4	3.4
	2	3.5	3.4	3.4
	Average	3.5	3.4	3.4
	%RPD	0.55	0.0	0.41
Intra-Day Average % RSD		3.5 0.40	3.4 0.39	3.4 0.28
Overall Average %RSD		3.4 0.61

 

·       The water concentrations measured for Vial 1, 50% headspace, Time Point 1 was determined to be a

Statistical outlier using the Dixon’s Q-test. The log(kH,cc) value is not reported for this test system vial.

Applicant's summary and conclusion

Conclusions:

The log Henry's Law constant (HLC) for Novec 7300 was determined to be 3.4 at 22 °C.

Executive summary:

The Henry's Law constant of Novec 7300 was determined by the ratio of headspace concentration over aqueous phase concentration.

Duplicate test vessels were filled with water and dosed with Novec 7300 gas at each of three different headspace:water ratios (70%, 50% and 30%). The vials were incubated for 3, 4, and 5 days at ambient temperature. Both the headspace and the water phase for each vial were sampled and analyzed in duplicates using gas chromatography/mass spectrometry (GC/MS). The average measured gas phase and water phase concentrations were used to calculate Henry's Law constant for Novec 7300 for each test vessel.

The average Henry's Law constant for Novec 7300 was 2770 at 22 °C.

The Henry's Law constant expressed as log HLC is 3.4 at 22 °C. This study was conducted under GLP compliance with accepted method. Therefore, it is considered reliable without restrictions.