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Physical & Chemical properties

Vapour pressure

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vapour pressure
Type of information:
Adequacy of study:
key study
Study period:
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
no guideline available
Principles of method if other than guideline:
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 data gaps.

GLP compliance:
not specified
Type of method:
other: not specified
Specific details on test material used for the study:
SMILES: 0=C (OCCCCCC)c(ccc(c1C(c=C)OCCCCCC)C(=C)OCCCCCC)c1 no test material used.
Key result
Test no.:
25 °C
Vapour pressure:
0 Pa


CHEM: 1,2,4-Benzenetricarboxylic acid, trihexyl ester

MOL FOR: C27 H42 O6

MOL. WT: 462.63

------------------------ SUMMARY MPBVP v1.43 --------------------



Boiling Point: 491.92 deg C (Adapted Stein and Brown Method)


Melting Point: 169.34 deg C (Adapted Joback Method)

Melting Point:  173.57 deg C (Gold and Ogle Method)

Mean Melt Pt : 171.45 deg C (Joback; Gold,Ogle Methods)

 Selected MP: 171.45 deg C (Weighted Value)


Vapor Pressure Estimations (25 deg C):

 (Using BP: 491.92 deg C (exp database))

 (Using MP: 171.45 deg C (exp database))

   VP: 2.65E-011 mm Hg (Antoine Method)

     : 3.53E-009 Pa (Antoine Method)

   VP: 1.34E-009 mm Hg (Modified Grain Method)

     : 1.79E-007 Pa (Modified Grain Method)

   VP: 3.32E-009 mm Hg (Mackay Method)

     : 4.42E-007Pa (Mackay Method)

 Selected VP: 1.34E-009 mm Hg (Modified Grain Method)

            : 1.79E-007 Pa (Modified Grain Method)

 Subcooled liquid VP: 4.39E-008 mm Hg (25 deg C, Mod-Grain method)

                    : 5.86E-006 Pa (25 deg C, Mod-Grain method)

The vapour pressure of the test substance at 25.0°C is estimated to be 1.79E-007 Pa (MPBPVP v1.43 in EPI-Suite v4.11).

Description of key information

Negligible volatility

Key value for chemical safety assessment

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

Additional information