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Vapour pressure

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Reference
Endpoint:
vapour pressure
Remarks:
estimated by calculation
Type of information:
(Q)SAR
Remarks:
MPBPVP by EPI Suite v4.1 software
Adequacy of study:
key study
Study period:
April 2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
No experimental data available. The validity of the model has been evaluated in accordance with the OECD validation principles (OECD, 2004; Worth et al, 2005; OECD, 2007). See attached report.
Principles of method if other than guideline:
Vapour Pressure estimations performed by MPBPWIN are based on the calculation method of Grain, which uses boiling point (644°C at 1013 hPa) for the calculation.
GLP compliance:
no
Remarks:
Computer model
Type of method:
other: calculation
Specific details on test material used for the study:
CAS number 3126-80-5
EC number: 221-508-0
Temp.:
25 °C
Vapour pressure:
0.002 Pa
Remarks on result:
not measured/tested
Remarks:
Antoine method
Key result
Temp.:
25 °C
Vapour pressure:
0.002 Pa
Remarks on result:
not measured/tested
Remarks:
Modified Grain method
Temp.:
25 °C
Vapour pressure:
0.008 Pa
Remarks on result:
not measured/tested
Remarks:
Mackay method
Conclusions:
Selected vapour pressure is 0.00209 Pa (Modified Grain Method)
Executive summary:

Calculated vapour pressure at 25 °C is 0.00209 Pa using modified grain method (EPI Suite v4.1 software)

Description of key information

The calculated vapour pressure at 25 °C is 0.00209 Pa using modified grain method (EPI Suite v4.1 software).

Key value for chemical safety assessment

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

Additional information

The estimated vapour pressure at 25°C using SPARC calculation model is -22.24 Log (atm) (= 5.75E-23 atm = 5,8262E-18 Pa).