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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:
2017
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 limited documentation / justification
Justification for type of information:
Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH datagaps.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Antoine & Grain methods
Estimated data are from a reliable (Q)SAR program developed and validated by the U.S. Environmental Protection Agency (EPA). It is included in the OECD (Q)SAR Toolbox for the purpose of filling REACH data gaps.
GLP compliance:
no
Specific details on test material used for the study:
No test material used.
CAS: 3378-72-1
SMILES: N(C(C)(C)C)Cc(cccc1)c1
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
12.1 Pa
Remarks on result:
other: estimated
Remarks:
assume standard temperature

CAS Number: 3378-72-1

SMILES : N(C(C)(C)C)Cc(cccc1)c1

CHEM   : Benzenemethanamine, N-(1,1-dimethylethyl)-

MOL FOR: C11 H17 N1

MOL WT : 163.26

SUMMARY MPBVP v1.43

Vapor Pressure Estimations (25 deg C):

 (Using BP: 227.20 deg C (estimated))

 (MP not used for liquids)

   VP:  0.0959 mm Hg (Antoine Method)

     :  12.8 Pa  (Antoine Method)

   VP:  0.0849 mm Hg (Modified Grain Method)

     :  11.3 Pa  (Modified Grain Method)

   VP:  0.145 mm Hg (Mackay Method)

     :  19.3 Pa  (Mackay Method)

 Selected VP:  0.0904 mm Hg (Mean of Antoine & Grain methods)

            :  12.1 Pa  (Mean of Antoine & Grain methods)

Conclusions:
The vapour pressure of the pure substance was estimated to be 12.1 Pa ( 0.0904 mm Hg) using MPBPVP (v1.43) of EPI-Suite (v4.11).

Description of key information

12.1 Pa or 0.0904 mm Hg (est.)

Key value for chemical safety assessment

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

Additional information