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Diss Factsheets

Physical & Chemical properties

Vapour pressure

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
not applicable
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
Justification for type of information:
QSAR prediction: QSAR method cited as reliable in the REACH guidance
Qualifier:
no guideline followed
Principles of method if other than guideline:
not applicable. QSAR method
GLP compliance:
no
Remarks:
not applicable. QSAR method
Type of method:
other: not applicable. QSAR method
Temp.:
25 °C
Vapour pressure:
0.001 Pa
Remarks on result:
other: 8.93E-006 mm Hg  is equivalent to vapour pressure of 0.00119 Pa
Transition / decomposition:
no
Remarks:
no data provided in method

Selected VP: 8.93E-006 mm Hg (Modified Grain Method)

 Equivalent to a vapour pressure of 0.00119 Pa (Modified Grain Method)

Overview of QSARs estimationson Vapour pressure of Alcohols, C16-18

 

 

Method

 

Results

Remarks

Reference

QSAR estimate

Vapor Pressure Estimations (25 deg C):

 (Using BP: 334.00 deg C (exp database))

 (Using MP: 49.30 deg C (exp database))

 VP: 4.48E-006 mm Hg (Antoine Method)

     : 0.000598 Pa (Antoine Method)

  VP: 8.93E-006 mm Hg (Modified Grain Method) : 0.00119 Pa (Modified Grain Method)

   VP: 0.000354 mm Hg (Mackay Method)

     : 0.0472 Pa (Mackay Method)

Selected VP: 8.93E-006 mm Hg (Modified Grain Method) : 0.00119 Pa (Modified Grain Method)

 Subcooled liquid VP: 1.04E-005 mm Hg (25 deg C, exp database VP )

  : 0.00139 Pa (25 deg C, exp database VP

Valid with restrictions (2); QSAR method;

Estimated values

MPBPWIN (v.1.43)

 

 

Conclusions:
A QSAR method predicts the vapour pressure of this substance to be 0.00119 Pa at 25C.
Executive summary:
A QSAR method predicts the vapour pressure of this substance to be 0.00119 Pa at 25C.

Description of key information

A QSAR method predicts the vapour pressure of this substance to be 0.00119 Pa at 25C.

Key value for chemical safety assessment

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

Additional information

A QSAR method predicts the vapour pressure of this substance to be 0.00119 Pa at 25C.