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Physical & Chemical properties

Vapour pressure

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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: N(H)(H)(H)(H)OC(=O)CCCCCCCCCCCCCCCCC
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 3.38E-006 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 3.38E-006 Pa (EPI-Suite, MPBPWIN v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 3.38E-006 Pa (EPI-Suite, MPBPWIN v1.43)

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: N(H)(H)(H)(H)OC(=O)CCCCCCCCCCCCCCC
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 1.3E-005 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 1.3E-005 Pa (EPI-Suite, MPBPWIN v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 1.3E-005 Pa (EPI-Suite, MPBPWIN v1.43)

Description of key information

Key study: The estimated vapour pressure of ammonium stearate (main constituent of the substance) at 25 ºC is 3.38E-006 Pa (EPI-Suite, MPBPWIN v1.43).

Key study: The estimated vapour pressure ammonium palmitate (main constituent of the substance) at 25 ºC is 1.3E-005 Pa (EPI-Suite, MPBPWIN v1.43).

Key value for chemical safety assessment

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

Additional information

Key study: The estimated vapour pressure of ammonium stearate (main constituent of the substance) at 25 ºC is 3.38E-006 Pa (EPI-Suite, MPBPWIN v1.43).

Key study: The estimated vapour pressure ammonium palmitate (main constituent of the substance) at 25 ºC is 1.3E-005 Pa (EPI-Suite, MPBPWIN v1.43).