Registration Dossier

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

Link to relevant study record(s)

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:
According to column 2 of REACH Annex VII, If the melting point is between 200 °C and 300 °C, a limit value based on measurement or a recognised calculation method is sufficient.
A calculation method thus has been chosen. See attached the QMRF and QPRF for the QSAR model.
Reason / purpose:
other: justification for using a calculation method
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: OC(C(C(C1C2)(C)C)(C2)C)C1
Key result
Temp.:
25 °C
Vapour pressure:
0.057 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that isoborneol has a VP of 0.0572 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 0.0572 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 0.0572 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 0,0572 Pa at 25ºC

Key value for chemical safety assessment

Vapour pressure:
0.057 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 0,0572 at 25ºC