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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:
0.003 mm Hg
Remarks on result:
other: 0.00316 mm Hg is equivalent to vapour pressure of 0.421 Pa
Transition / decomposition:
no
Remarks:
no data provided in method

Selected VP:  0.00316 mm Hg (Modified Grain Method)

Equivalent to a vapour pressure of  0.421 Pa (Modified Grain Method)

 

Overview of QSARs estimations on Vapour pressure of S-allyl O-pentyl dithiocarbonate/Carbonic acid, dithio-, S-allyl O-pentyl ester/AIAXE

Method

 

Results

Remarks

Reference

QSAR estimate

Vapor Pressure Estimations (25 deg C):

 (Using BP: 280.51 deg C (estimated))

 (Using MP: 50.88 deg C (estimated))

   VP:  0.00283 mm Hg (Antoine Method)

     :  0.377 Pa  (Antoine Method)

   VP:  0.00316 mm Hg (Modified Grain Method)

     :  0.421 Pa  (Modified Grain Method)

   VP:  0.00558 mm Hg (Mackay Method)

     :  0.744 Pa  (Mackay Method)

 Selected VP:  0.00316 mm Hg (Modified Grain Method)

            :  0.421 Pa (Modified Grain Method)

 Subcooled liquid VP:  0.00546 mm Hg (25 deg C, Mod-Grain method)

                    :  0.728 Pa  (25 deg C, Mod-Grain method)

 

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 0.421 Pa at 25C.
Executive summary:
A QSAR method predicts the vapour pressure of this substance to be 0.421 Pa  at 25C.

Description of key information

A QSAR method predicts the vapour pressure of this substance to be 0.421 Pa  at 25C.

Key value for chemical safety assessment

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

Additional information