Registration Dossier

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

Reference
Name:
Unnamed
Type:
Constituent
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.