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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:
2017-07-27
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:
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.
Qualifier:
no guideline followed
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:
no
Type of method:
other: QSAR method
Specific details on test material used for the study:
No test material used.
CAS Number: 78-22-8
SMILES : O=C(OCC(CO)(CO)CO)CCCCCCCC=CCC(O)CCCCCC
CHEM : 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)pro
pyl ester, R-(Z) -
MOL FOR: C23 H44 O6
MOL WT : 416.60
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 Pa

CAS Number: 78-22-8

SMILES : O=C(OCC(CO)(CO)CO)CCCCCCCC=CCC(O)CCCCCC

CHEM   : 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)pro

        pyl ester,  R-(Z) -

MOL FOR: C23 H44 O6

MOL WT : 416.60

Vapor Pressure Estimations (25 deg C):

 (Using BP: 550.45 deg C (estimated))

 (Using MP: 234.95 deg C (estimated))

  VP: 6.52E-019 mm Hg (Antoine Method)

   : 8.69E-017 Pa (Antoine Method)

  VP: 2.23E-015 mm Hg (Modified Grain Method)

   : 2.97E-013 Pa (Modified Grain Method)

  VP: 2.53E-011 mm Hg (Mackay Method)

   : 3.37E-009 Pa (Mackay Method)

 Selected VP: 2.23E-015 mm Hg (Modified Grain Method)

       : 2.97E-013 Pa (Modified Grain Method)

 Subcooled liquid VP: 4.08E-013 mm Hg (25 deg C, Mod-Grain method)

           : 5.44E-011 Pa (25 deg C, Mod-Grain method)

Conclusions:
The estimated vapour pressure of the substance is very low, 2.97E-013 Pa at 25°C .

Description of key information

negligible

Key value for chemical safety assessment

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

Additional information