2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)morpholine

Henry's Law constant

Administrative data

Endpoint:

Henry's law constant

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07 Feb 2012 - 13 Feb 2012

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Study well documented, accepted method

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2012

Materials and methods

Test guideline

Qualifier:

no guideline available

Principles of method if other than guideline:

Henry´s Law Constant was determined by measuring the FC-3284 concentrations in gas-phase and in aqueous-phase for a given test system vessel at equilibrium conditions and at ambient temperature and pressure.

Test material

Test material information

Constituent 1

Reference substance name:

FC-3284

IUPAC Name:

FC-3284

Details on test material:

- Name of test material (as cited in study report): FC-3284
- Substance type: single-constituent substance
- Physical state: Clear and colorless liquid
- Analytical purity: 96.67%
- Storage condition of test material: room temperature

Results and discussion

Henry's Law constant H

H:

7 060

Temp.:

22 °C

Atm. press.:

760 mm Hg

Remarks on result:

other: Test conducted at ambient temperature. Henry's Law constant result is reported as a dimensionless ratio of headspace over aqueous phase concentration. The average HLC was 7060 with %RSD of 4.8%. The average log HLC was 3.8, with %RSD of 0.54%.

Any other information on results incl. tables

Table 1: Summary of Henry’s Law Constant (HLC) for FC-3284

 

Ratio (Headspace: Aqueous)	Replicate	Day 1	Day 2	Day  3
70 % Headspace	1	7620	7290	6610
	2	7560	6930	6840
	Average	7590	7110	6730
	%RPD	0.79	5.1	3.4
50 % Headspace	1	7350	6930	6820
	2	7040	7300	6700
	Average	7200	7120	6760
	%RPD	4.3	5.2	1.8
30 % Headspace	1	7520	7190^(1)	6730^(1)
	2	7180	6490	6960
	Average	7350	6840	6850
	%RPD	4.6	10	3.4
Intra-Day Average % RSD		7380 3.1	7020 4.4	6780 1.8
Overall Average %RSD		7060 4.8

 

(1) One headspace measurement for Replicate 1 was determined to be a statistical outlier and was excluded from

the HLC determination

Table 2: Summary of Log (HLC) for FC-3284

 

Ratio (Headspace: Aqueous)	Replicate	Day 1	Day 2	Day  3
70 % Headspace	1	3.9	3.9	3.8
	2	3.9	3.8	3.8
	Average	3.9	3.9	3.8
	%RPD	0.09	0.57	0.39
50 % Headspace	1	3.9	3.8	3.8
	2	3.8	3.9	3.8
	Average	3.9	3.9	3.8
	%RPD	0.49	0.59	0.2
30 % Headspace	1	3.9	3.9	3.8
	2	3.9	3.8	3.8
	Average	3.9	3.8	3.8
	%RPD	0.52	1.2	0.38
Intra-Day Average % RSD		3.9 0.35	3.8 0.51	3.8 0.21
Overall Average %RSD		3.8 0.54

Table 3: Individual results of Henry’s Law Constant (HLC) for FC-3284
Day 1, 70% Headspace
		Water conc (ng/mL)	Headspace conc. (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	0.870	6870
	aliquot 2	0.919	6770
	Average	0.895	6820	7620	3.9
	% RPD	5.4	1.5
Replicate 2	aliquot 1	0.927	6800
	aliquot 2	0.878	6860
	Average	0.903	6830	7560	3.9
	% RPD	5.4	0.8
Day 1, 50% Headspace
		Water conc. (ng/mL)	Headspace conc (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	0.953	6710
	aliquot 2	0.897	6890
	Average	0.925	6800	7350	3.9
	% RPD	6.0	2.7
Replicate 2	aliquot 1	1.01	6840
	aliquot 2	0.934	6880
	Average	0.974	6860	7040	3.8
	% RPD	8.2	0.6
Day 1, 30% Headspace
		Water conc. (ng/mL)	Headspace conc. (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	0.945	6700
	aliquot 2	0.875	6970
	Average	0.910	6840	7520	3.9
	% RPD	7.7	4.0
Replicate 2	aliquot 1	0.975	6700
	aliquot 2	0.895	6710
	Average	0.935	6710	7180	3.8
	% RPD	8.6	0.26
Day 2, 70% Headspace
		Water conc (ng/mL)	Headspace conc. (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	0.991	7000
	aliquot 2	0.914	6890
	Average	0.953	6950	7290	3.9
	% RPD	8.0	1.7
Replicate 2	aliquot 1	1.05	6890
	aliquot 2	0.939	6910
	Average	0.996	6900	6930	3.8
	% RPD	12	0.20
Day 2, 50% Headspace
		Water conc. (ng/mL)	Headspace conc (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	0.990	6780
	aliquot 2	0.964	6760
	Average	0.977	6770	6930	3.8
	% RPD	2.7	0.34
Replicate 2	aliquot 1	0.956	6760
	aliquot 2	0.894	6730
	Average	0.925	6750	7300	3.9
	% RPD	6.7	0.57
Day 2, 30% Headspace
		Water conc. (ng/mL)	Headspace conc. (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	0.980	6780
	aliquot 2	0.906	1300 (1)
	Average	0.943	6780 (1)	7190	3.9
	% RPD	7.8	NA (2)
Replicate 2	aliquot 1	1.09	6800
	aliquot 2	0.994	6700
	Average	1.04	6750	6490	3.8
	% RPD	9.1	1.5
Day 3, 70% Headspace
		Water conc (ng/mL)	Headspace conc. (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	1.08	6560
	aliquot 2	0.999	7170
	Average	1.04	6870	6610	3.8
	% RPD	8.2	9.0
Replicate 2	aliquot 1	1.06	7220
	aliquot 2	1.05	7280
	Average	1.06	7250	6840	3.8
	% RPD	1.2	0.73
Day 3, 50% Headspace
		Water conc. (ng/mL)	Headspace conc (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	1.10	7170
	aliquot 2	0.995	7410
	Average	1.05	7160	6820	3.8
	% RPD	10	0.40
Replicate 2	aliquot 1	1.14	7050
	aliquot 2	0.96	7000
	Average	1.05	7030	6700	3.7
	% RPD	17	0.71
Day 3, 30% Headspace
		Water conc. (ng/mL)	Headspace conc. (ng/mL)	HLC	log HLC
Replicate 1	aliquot 1	1.15	3820 (1)
	aliquot 2	1.00	7270
	Average	1.080	7270 (1)	6730	3.8
	% RPD	14	NA (2)
Replicate 2	aliquot 1	1.05	7310
	aliquot 2	1.00	7040
	Average	1.03	7170	6960	3.8
	% RPD	5.3	3.8
(1) Result determined to be a statistical outlier at the 98% confidence level.
(2) N=1. %RPD was not calculated.

Applicant's summary and conclusion

Conclusions:

The Henry's Law constant (HLC) for FC-3284 was determined to be 7060 at 22 °C based on measured concentrations in the headspace phase and water phase. The average log HLC was 3.8.

Executive summary:

The Henry's Law constant of FC-3284 was determined by the ratio of headspace concentration over aqueous phase concentration.

Duplicate test vessels were filled with water and dosed with FC-3284 gas at three headspace: water ratios. The vials were incubated for 1, 2 and 3 days at ambient temperature. Both the headspace and the water phase for each vials were sampled and analyzed in duplicates using purge and trap gas chromatography/mass spectrometry (GC/MS).

The average Henry's Law constant for FC-3284 was 7060 at 22 °C. The Henry's Law constant expressed as log HLC is 3.8 at 22 °C.

This study was conducted under GLP compliance with accepted calculation method. Therefore, it is considered reliable without restrictions.