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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

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:
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

MPBPVP predicted that the test substance has a VP of 9.76E-010 Pa.

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)

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.