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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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:
0.242 Pa
Remarks on result:
other: 0.00181 mm Hg  is equivalent to vapour pressure of 0.242 Pa
Transition / decomposition:
no
Remarks:
no data provided in method

Selected VP:0.00181 mm Hg (Mean of Antoine & Grain methods)

 Equivalent to a vapour pressure of  0.242 Pa (Mean of Antoine & Grain methods)

Overview of QSARs estimations on Vapour pressureof Alcohols, C12-14

  

Method

 

Results

Remarks

Reference

QSAR estimate

Vapor Pressure Estimations (25 deg C):

 (Using BP: 259.00 deg C (exp database))

 (MP not used for liquids)

   VP: 0.00182 mm Hg (Antoine Method)

     : 0.243 Pa (Antoine Method)

   VP: 0.00181 mm Hg (Modified Grain Method)

     : 0.241 Pa (Modified Grain Method)

   VP: 0.03 mm Hg (Mackay Method)

     : 3.99 Pa (Mackay Method)

 Selected VP: 0.00181 mm Hg (Mean of Antoine & Grain methods) : 0.242 Pa (Mean of Antoine & Grain methods)

 

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 0.242 Pa at 25C.
Executive summary:
A QSAR method predicts the vapour pressure of this substance to be 0.242 Pa at 25C.

Description of key information

A QSAR method predicts the vapour pressure of this substance to be 0.242 Pa at 25C.

Key value for chemical safety assessment

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

Additional information

A QSAR method predicts the vapour pressure of this substance to be 0.242 Pa at 25C.