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EC number: 221-508-0 | CAS number: 3126-80-5
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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)
Reference
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).
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