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Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
20-10-2020
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2021
Report date:
2021

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
effusion method: Knudsen cell

Test material

Constituent 1
Chemical structure
Reference substance name:
1,6-anhydro-β-D-glucose
EC Number:
207-855-0
EC Name:
1,6-anhydro-β-D-glucose
Cas Number:
498-07-7
Molecular formula:
C6H10O5
IUPAC Name:
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Constituent 2
Chemical structure
Reference substance name:
Glycollaldehyde
EC Number:
205-484-9
EC Name:
Glycollaldehyde
Cas Number:
141-46-8
Molecular formula:
C2H4O2
IUPAC Name:
2-hydroxyacetaldehyde
Constituent 3
Reference substance name:
Organic acids
IUPAC Name:
Organic acids
Constituent 4
Reference substance name:
Ketones
IUPAC Name:
Ketones
Constituent 5
Reference substance name:
Phenols
IUPAC Name:
Phenols
Constituent 6
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
Cas Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 7
Reference substance name:
Oligomers of sugars and anhydrosugars
IUPAC Name:
Oligomers of sugars and anhydrosugars
Test material form:
liquid: viscous

Results and discussion

Vapour pressureopen allclose all
Temp.:
45 °C
Vapour pressure:
0.013 Pa
Remarks on result:
other: RSD p 27.2 %
Temp.:
60 °C
Vapour pressure:
0.028 Pa
Remarks on result:
other: RSD p 1.8 %
Temp.:
75 °C
Vapour pressure:
0.103 Pa
Remarks on result:
other: RSD 6.2 %
Temp.:
90 °C
Vapour pressure:
0.135 Pa
Remarks on result:
other: RSD 22 %
Key result
Temp.:
20 °C
Vapour pressure:
0.002 Pa
Remarks on result:
other: calculated from the regression equation
Temp.:
25 °C
Vapour pressure:
0.003 Pa
Remarks on result:
other: calculated from the regression equation

Any other information on results incl. tables

Positive Control

For Diethylphthalate the following vapour pressure was determined and compared with recommended value

Results Positive Control

 

Vapour pressure (positive control) at 30°C:

 0.831*10-1Pa
 

Criterion for the vapour

pressure of the positive control at 30°C

 0.44*10-1- 2.44*10-1Pa

The vapour pressure met the validity criteria. Therefore the study can be considered as valid.

Applicant's summary and conclusion

Conclusions:
For the test item, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Vapour pressure at 20 °C: 2.40 * 10-3Pa,
Vapour pressure at 25 °C: 3.45 * 10-3Pa
Executive summary:

The vapour pressure of the test item BTG Pyrolytic Sugar was determined at four different temperatures (45, 60, 75 and 90 °C) according to OECD 104 resp. EU A.4 using the effusion method (weight loss).

When visible contaminations, caused by explosive evaporation of the test item, were ob- served, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, these measurements were not used for calculations.

Four experiments could be evaluated as they showed relevant and reproducible weight loss. All evaluated experiments showed good repeatability, giving relative standard deviations of less than 27 % (limit value from the guideline 30 %) and sufficient correlation.

Therefore, the result of the test can be considered valid.

Vapour pressure was examined at nine different temperatures. Four temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, log (p) was plotted against 1/T.

On the basis of these findings, the following vapour pressure were calculated:

- at 318.2 K a VP of 1.33e-02 (sd 3.61e-03)

- at 333.2 K a VP of 2.82e-02 (sd 5.30e-03)

- at 348.2 K a VP of 1.03e-01 (sd 6.40e-03)

- at 363.2 K a VP of 1.35e-01 (sd 2.98e-02)

For the test item, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation (The test item is a complex reaction product consisting of several chemical constituents, and therefore, the vapour pressure was calculated based on the average molecular weight of 0.425 kg/Mol):

Vapour pressure at 20 °C: 2.40 * 10-3Pa,

Vapour pressure at 25 °C: 3.45 * 10-3Pa

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