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Physical & Chemical properties

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. Reaction mass of O-isopropyl ethylthiocarbamate (98%) and n-butanol (1%) and propan-2-ol (1%)
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:
0.68 mm Hg
Remarks on result:
other: 0.68 mm Hg is equivalent to vapour pressure of 90.7 Pa
Transition / decomposition:
no
Remarks:
no data provided in method

 

Selected VP: 0.68 mm Hg (Mean of Antoine & Grain methods)

Equivalent to a vapour pressure of 90.7 Pa (Mean of Antoine & Grain methods)

 

Overview of QSARs estimations on Vapour pressure of O-isopropyl ethylthiocarbamate (IPETC)

 

Method

 

Results

Remarks

Reference

QSAR estimate

Vapor Pressure Estimations (25 deg C):

 (Using BP: 187.17 deg C (estimated))

 (MP not used for liquids)

   VP: 0.742 mm Hg (Antoine Method)

     : 98.9 Pa (Antoine Method)

   VP: 0.619 mm Hg (Modified Grain Method)

     : 82.6 Pa (Modified Grain Method)

   VP: 0.978 mm Hg (Mackay Method)

     : 130 Pa (Mackay Method)

 Selected VP: 0.68 mm Hg (Mean of Antoine & Grain methods)

            : 90.7 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 90.7 Pa at 25C.
Executive summary:

A QSAR method predicts the vapour pressure of this substance to be 90.7 Pa at 25C.

Description of key information

A QSAR method predicts the vapour pressure of this substance to be 90.7 Pa at 25C.

Key value for chemical safety assessment

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

Additional information

A QSAR method predicts the vapour pressure of this substance to be 90.7 Pa at 25C.