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EC number: 231-034-6 | CAS number: 7417-99-4
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached the QMRF and QPRF for the QSAR model.
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14. - Specific details on test material used for the study:
- SMILES: N1(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CC4)cc3)cc2)CC1
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The estimated vapour pressure at 25 ºC is 9.76E-010 Pa (EPI-Suite, MPBPVP v1.43)
- Executive summary:
The estimated vapour pressure at 25 ºC is 9.76E-010 Pa (EPI-Suite, MPBPVP v1.43)
Reference
MPBPVP predicted that the test substance has a VP of 9.76E-010 Pa.
Description of key information
Key study. EPI-Suite, MPBPVP v1.43. The calculated value of vapour pressure for the test substance is 9.76E-010 Pa at 25ºC.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
Key study. The vapour pressure of the test substance was determined by using EPI-Suite, MPBPVP v1.43. The calculated value was 9.76E-010 at 25ºC.
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