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Diss Factsheets

Administrative data

Endpoint:
Henry's law constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
31 Ocotober 2014 - 07 November 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Test procedure in accordance with generally accepted scientific standards and described in sufficient detail, study under GLP

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 PPVE 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. Gas phase and water phase aliquots were analyzed using purge and trap gas chromatography/mass spectrometry (GC/MS).
GLP compliance:
yes

Test material

Constituent 1
Reference substance name:
PPVE
IUPAC Name:
PPVE
Details on test material:
- Name of test material (as cited in study report): PPVE
- Substance type: Single component substance
- Physical state: Colorless, clear liquid at room temperature
- Analytical purity: 98.5%
- Storage condition of test material: Ambient temperature

Results and discussion

Henry's Law constant H
H:
3 200 dimensionless
Temp.:
22.6 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: %RSD = 13

Any other information on results incl. tables

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

 

Ratio

(Headspace: Aqueous)

Replicate

 

Time point 1

(Five days)

 

Time point 2

(Six days)

 

Time point 3

(Seven days)

70 %

Headspace

1

3230

3320

3370

2

3690

3130

3370

Average

3460

3230

3370

%RPD

13

5.9

0.25

50 %

Headspace

1

3820

3060

2940

2

3540

3090

3020

Average

3680

3070

2980

%RPD

7.4

1.0

2.5

30 %

Headspace

1

3800

3460

2680

2

2860

2840

2290

Average

3330

3150

2490

%RPD

28

20

16

Intra-Time Point Average

% RSD

3490

11

3150

7.0

2950

14

Overall Average

%RSD

3200

13

 

Table 2: Summary of Log (HLC) for PPVE

 

Ratio

(Headspace: Aqueous)

Replicate

 

Time point 1

(Five days)

 

Time point 2

(Six days)

 

Time point 3

(Seven days)

70 %

Headspace

1

3.5

3.5

3.5

2

3.6

3.5

3.5

Average

3.5

3.5

3.5

%RPD

1.6

0.73

0.031

50 %

Headspace

1

3.6

3.5

3.5

2

3.5

3.5

3.5

Average

3.6

3.5

3.5

%RPD

0.90

0.59

0.32

30 %

Headspace

1

3.6

3.5

3.4

2

3.5

3.5

3.4

Average

3.5

3.5

3.4

%RPD

3.5

2.5

2.0

Intra-Day Average

% RSD

3.5

1.4

3.5

0.95

3.5

1.8

Overall Average

%RSD

3.5

1.6

Applicant's summary and conclusion

Conclusions:
The Henry's Law constant (HLC) for PPVE was determined based on measured concentrations in the gas-phase and aqueous-phase. Under an average study temperature of 22.6°C, the average HLC was 3200, the average log HLC was 3.5.
Executive summary:

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

Duplicate test vessels were filled with water and dosed with PPVE gas at three headspace:water ratios (70%, 50% and 30%). The vials were incubated for 5, 6, and 7 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 PPVE for each test vessel. Under the conditions of this study (average temperature of 22.6°C), overall average HLC for PPVE is 3200 (%RSD = 13), the overall average log HLC was 3.5 ± 0.06 (% RSD= 1.6).

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