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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018-07-30 - 2018-11-13
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
23 March 2006
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.4 (Vapour Pressure)
Version / remarks:
24 August 2009
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
static method
Temp.:
20 °C
Vapour pressure:
2 050 Pa
Temp.:
25 °C
Vapour pressure:
2 582 Pa

The coefficient of determination r2 was calculated with 0.996385672. This value is above the threshold of 0.95.

Conclusions:
The vapour pressure of the test item was calculated as 2050 Pa at 20 °C and 2582 Pa at 25 °C.
Executive summary:

Using the static method according to EU method A.4 and OECD guideline 104 under GLP-conditions, vapour pressures of 2050 Pa at 20 °C and 2582 Pa at 25 °C were determined.

These values were calculated from the regression of 10 individual measurements, which were performed in a temperature range of 16.0 - 54.9 °C.

The measured values for pressure p and temperature T were used to calculate pairs of log p and 1/T. These values were plotted, from the linear regression, vapour pressures at ambient temperature were determined. The values of the heating and cooling down phase showed good correspondence. Therefore, the result of the study is considered valid.

Description of key information

Using the static method according to EU method A.4 and OECD guideline 104 under GLP-conditions, vapour pressures of 2050 Pa at 20 °C and 2582 Pa at 25 °C were determined.

These values were calculated from the regression of 10 individual measurements, which were performed in a temperature range of 16.0 - 54.9 °C.

The measured values for pressure p and temperature T were used to calculate pairs of log p and 1/T. These values were plotted, from the linear regression, vapour pressures at ambient temperature were determined. The values of the heating and cooling down phase showed good correspondence. Therefore, the result of the study is considered valid.

Key value for chemical safety assessment

Vapour pressure:
2 050 Pa
at the temperature of:
20 °C

Additional information

Vapour pressure of hexanal was described in several handbooks/puplications. Described properties are nearly the same: hexanal has a determined vapoure pressure of 10 hPa at 19 °C and a vapour pressure of 11.47 hPa at 20 °C.

This handbook data is supported by an accepted calculation method. According to this the calculated vapour pressure is 12.8 hPa at 25°C (based on mean of Antoine and Grain method). This values are abit lower than determined with the experimental study performed in accordance with currend guidelines.

CRC Handbook:

Hexanal has a vapour pressure of 10 hPa at a temperaure of 19 °C.

Sax Dang. Prop.:

Hexanal has a vapour pressure of 11.47 hPa at 20 °C.

EPI Suite:

Vapour pressure of hexanal is caluclated with EPI Suite MPBVP v1.43 according to different calculation methods (Antoine, modified Grain and Mackay method). Selected vapour pressure is mean of Antoine and Grain method with a value of 12.8 hPa at a temperature of 25 °C.