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Vapour pressure

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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