2-Pentene, 1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-, (E)-

Henry's Law constant

Administrative data

Endpoint:

Henry's law constant

Type of information:

experimental study

Adequacy of study:

key study

Study period:

October 2, 2014 - October 9, 2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: GLP study with acceptable method.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Test guideline

Qualifier:

no guideline available

Principles of method if other than guideline:

The Henry's Law constant of HFP Kinetic Dimer was determined by the ratio of gas-phase concentration over aqueous phase concentration 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:

HFP kinetic dimer

IUPAC Name:

HFP kinetic dimer

Details on test material:

- Name of test material (as cited in study report): Hexafluoropropylene (HFP) Kinetic Dimer
- Substance type: Single component substance
- Physical state: Clear, colorless liquid

Results and discussion

Henry's Law constant H

Key result

H:

5 690

Temp.:

22 °C

Atm. press.:

760 mm Hg

Remarks on result:

other: %RSD = 18. Average Log HLC = 3.8, %RSD = 2.5%.

Any other information on results incl. tables

Table 1: Summary of Henry’s Law Constant (HLC) forHFP Kinetic Dimer

Ratio (Headspace: Aqueous)	Replicate	Time point 1 (Four days)	Time point 2 (Five days)	Time point 3 (Six days)
70 % Headspace	1	7120	6800	4860
	2	4960	6380	3460
	Average	6040	6590	4160
	%RPD	36^(1)	6.4	34^(1)
50 % Headspace	1	5710	6370	6250
	2	6760	7940	3770
	Average	6240	7150	5010
	%RPD	17	22	49^(1)
30 % Headspace	1	5160	6240	4650
	2	5680	6480	5920
	Average	5420	6360	5290
	%RPD	9.7	3.8	24
Intra-Time Point Average % RSD		5900 15	6700 9.5	4820 23
Overall Average %RSD		5690 18

 

(1) Calculated values of HLC did not meet the targeted precision of <25% for intra-vial replicates.

Table 2: Summary of Log (HLC) forHFP Kinetic Dimer

 

Ratio (Headspace: Aqueous)	Replicate	Time point 1 (Four days)	Time point 2 (Five days)	Time point 3 (Six days)
70 % Headspace	1	3.9	3.8	3.7
	2	3.7	3.8	3.5
	Average	3.8	3.8	3.6
	%RPD	4.1	0.73	4.1
50 % Headspace	1	3.8	3.8	3.8
	2	3.8	3.8	3.6
	Average	3.8	3.8	3.7
	%RPD	1.9	2.5	5.9
30 % Headspace	1	3.7	3.8	3.7
	2	3.8	3.8	3.8
	Average	3.7	3.8	3.7
	%RPD	1.1	0.43	2.8
Intra-Day Average % RSD		3.8 1.7	3.8 1.0	3.7 2.8
Overall Average %RSD		3.8 2.5

 

 

Applicant's summary and conclusion

Conclusions:

The Henry's Law constant (HLC) for HFP Kinetic Dimer was determined based on measured concentrations in the gas-phase and aqueous-phase. Under an average study temperature of 22°C, the average HLC was 5690, the average log HLC was 3.8.

Executive summary:

 The Henry's Law constant of HFP Kinetic Dimer was determined by the ratio of gas-phase concentration over aqueous-phase concentration.

Duplicate test vessels were filled with water and dosed with HFP Kinetic Dimer gas at three headspace:water ratios (70%, 50% and 30%). The vials were incubated for 4, 5, and 6 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 HFP Kinetic Dimer for each test vessel. Under the conditions of this study (average temperature of 22°C), overall average HLC for HFP Kinetic Dimer is 5690 (%RSD = 18), the overall average log HLC was 3.8 (% RSD= 2.5). The dimensionless HLC can be converted to 1.40E+07 Pa·m³/mol (138 atm·m³/mole).

This study was conducted under GLP compliance with accepted method. However, there were seveal samples that had high %RPD. Therefore, it is considered reliable with restrictions.