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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
0.68 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.