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Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
The result was obtained by an appropriate predictive method.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).

The model is the existing SRC model MPBPVPWIN v 1.43, which is a component of the EPI Suite. This existing model uses the normal boiling point as input.
Temp.:
20 °C
Vapour pressure:
0.17 Pa
Remarks on result:
other: The estimated vapour pressure is for each isomer of the substance
Temp.:
25 °C
Vapour pressure:
0.27 Pa
Remarks on result:
other: The estimated vapour pressure is for each isomer of the substance
Temp.:
30 °C
Vapour pressure:
0.44 Pa
Remarks on result:
other: The estimated vapour pressure is for each isomer of the substance
Temp.:
50 °C
Vapour pressure:
2.6 Pa
Remarks on result:
other: The estimated vapour pressure is for each isomer of the substance
Conclusions:
Predicted vapour pressure values of 0.17 Pa at 20°C, 0.24 Pa at 25°C, 0.44 Pa at 30°C and 2.6 Pa at 50°C were determined for each isomer of the substance using a validated QSAR estimation method. The result is considered to be reliable.

Description of key information

Vapour Pressure: 0.17 Pa at 20°C, 0.27 Pa at 25°C, 0.44 Pa at 30°C and 2.6 Pa at 50°C for each isomer of the substance (QSAR)

Key value for chemical safety assessment

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

Additional information

The vapour pressures of the constituents (isomers) have been predicted using a validated QSAR estimation method. The method predicts the vapour pressure based on the boiling point of the substance according to the prediction model MPBPVP1. The vapour pressure of a substance decreases with increasing boiling point.

Predicted vapour pressure values of 0.17 Pa at 20°C, 0.27 Pa at 25°C, 0.44 Pa at 30°C and 2.6 Pa at 50°C were obtained for each isomer of the substance using a validated QSAR estimation method. Each isomer of the substance has the same predicted vapour pressure. The result is considered to be reliable and selected as key study. In Domingo 2012c, a vapour pressure of 1.3E-07 Pa at 25°C was determined for the substance in accordance with OECD Test Guideline 104. However, the reliability could not be assigned because the measurement was conducted at elevated temperatures of 142 - 190°C and also only four data points were determined. Therefore, the extrapolated result is prone to significant error. 1MPBPVPWIN v1.43 part of EPIWIN Suite of programs; US EPA. [2012]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington, DC, USA