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Diss Factsheets

Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2010-02-01
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Under COLUMN 2 SPECIFIC RULES FOR ADAPTATION FROM COLUMN 1 in the REGULATION (EC) No 1907/2006 OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 18 December 2006, it states: "The study does not need to be conducted if: a limit value based on measurement or a recognised calculation method is sufficient." Accordingly, the vapour pressure was calculated following Method A4 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC, in accordance with Method 104 of OECD Guidelines for Testing of Chemicals).
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
Principles of method if other than guideline:
Calculation of vapour pressure using EPI SuiteTM Version 4.00 (January 2009) and the ACD/I-Lab Web service (ACD/Boiling Point and Vapor Pressure 8.02)
GLP compliance:
no
Remarks:
not mandatory
Type of method:
other: Calculation
Key result
Temp.:
25 °C
Vapour pressure:
< 0 Pa
Remarks on result:
other: The calculated vapor pressure was below the limit of 10E-4, which was given by REACH for experimental testing
Key result
Transition / decomposition:
no

The estimation of the vapor pressure of the test item was based on the EEC directive 92/69, Part A, Methods for the determination of physico-chemical properties, A.4 Vapour Pressure, EEC Publication No. L383, December 1992 and the OECD Guideline No. 104, Vapour Pressure, adopted July 27, 1995.

 

Because no experimental boiling point was available, the boiling point of ascorbic acid was calculated to be approximately 373 °C. Based on this boiling point, the vapor pressure was calculated to be smaller than 10-7 Pa. The predicted value of the boiling point and vapor pressure was obtained using the ACD/I-Lab Web service (ACD/Boiling Point and Vapor Pressure 8.02).

 

The predicted values are in qualitative agreement with the boiling point of 422 °C and the vapor pressure of approximately 5 * 10-8obtained by calculation with the EPI SuiteTM Version 4.00 (January 2009).

 

As the vapor pressure of the sodium salt of ascorbic acid should be even smaller, no full test needs to be performed.

 

Conclusions:
The vapor pressure of the test item was estimated to be smaller than 1.0 x 10-7 Pa at 25 °C and therefore no experimental testing is necessary.

Executive summary:

The vapor pressure of the test item was estimated to be smaller than 1.0 x 10-7 Pa at 25 °C and therefore no experimental testing is necessary.

 

Description of key information

The vapor pressure of the substance was estimated to be smaller than 1.0 x 10-7 Pa at 25 °C and therefore no experimental testing is necessary.

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information

The estimation of the vapor pressure of the test item was based on the EEC directive 92/69, Part A, Methods for the determination of physico-chemical properties, A.4 Vapour Pressure, EEC Publication No. L383, December 1992 and the OECD Guideline 104, Vapour Pressure, adopted July 27, 1995. If the vapor pressure of the test item is expected to be so small that the value is below the measurement range of an experimental determination (e.g. the gas saturation method), then the vapor pressure can also be calculated. It can be assumed, that the vapor pressure of the test item is smaller than the vapor pressure of the corresponding acid, ascorbic acid. Because no experimental boiling point for ascorbic acid was available, the boiling point of ascorbic acid was calculated to be approximately 373 °C. Based on this boiling point, the vapor pressure was calculated to be smaller than 10-7 Pa. The predicted value of the boiling point and vapor pressure was obtained using the ACD/I-Lab Web service (ACD/Boiling Point and Vapor Pressure 8.02). The predicted values are in qualitative agreement with the boiling point of 422 °C and the vapor pressure of approximately 5 * 10-8 obtained by calculation with the EPI SuiteTM Version 4.00 (January 2009). The vapor pressure of sodium ascorbate was estimated to be smaller than 1.0 x 10-7 Pa at 25 °C and thus, below the measurement range of an experimental determination. Therefore, experimental testing of vapour pressure sodium ascorbate is technically not feasible.