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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:
2019
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
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6 (QSPR model adapted specifically from OECD test guideline 104)
Principles of method if other than guideline:
The in silico study aims to predict the Vapour Pressure of the test item (Mixture of Methyl Linolenate, Methyl Linoleate and Methyl Oleate). Vapour pressure predictions for individual constituents were obtained using the OPERA v1.5 (via Chemistry Dashboard) QSAR model. The final Vapour Pressure for the mixture was calculated as the sum of the partial vapour pressures for each constituent.
Type of method:
other: QSPR model adapted specifically from OECD test guideline 104
Specific details on test material used for the study:
SMILES:
* Methyl Linolenate: O=C(OC)CCCCCCCC=CCC=CCC=CCC
* Methyl Linoleate: O=C(OC)CCCCCCCC=CCC=CCCCCC
* Methyl oleate: O=C(OC)CCCCCCCC=CCCCCCCCC
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.001 Pa
Remarks on result:
other: Mixture
Remarks:
QSAR predicted value
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.001 Pa
Remarks on result:
other: Methyl Linolenate
Remarks:
QSAR predicted value
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.001 Pa
Remarks on result:
other: Methyl Linoleate
Remarks:
QSAR predicted value
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.001 Pa
Remarks on result:
other: Methyl oleate
Remarks:
QSAR predicted value
Conclusions:
The vapour pressure predicted for the mixture of Methyl Linolenate, Methyl Linoleate and Methyl Oleate is 0.001 Pa.

Description of key information

Key value for chemical safety assessment

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

Additional information