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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:
24 September 2018
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
Qualifier:
no guideline followed
Principles of method if other than guideline:
(Q)SAR prediction using EPISuite/MPBPVP model
Key result
Test no.:
#1
Temp.:
ca. 20 °C
Vapour pressure:
291.75 Pa
Remarks on result:
other: Temperature not applicable as (Q)SAR predicted value
 Constituent  MW Fraction  Vapour Pressure  Source of Vapour Pressure Value
 Isohexyl angelate  0.377  18.4 Pa  Predicted (EPISuite)
 Methallyl angelate  0.253  104 Pa  Predicted (EPISuite)
 Isobutyl angelate  0.128  208 Pa  Predicted (EPISuite)
 Pinocarveol  0.125  13.9 Pa  Experimental
 Pinocarvone  0.062  1930 Pa  Predicted (EPISuite)
 Alpha Pinene  0.056  690 Pa  Experimental
Conclusions:
Vapour pressures were predicted for the six constituent substances of chamomile oil (UVCB) using EPISuite (MPBPVP model). The vapour pressure values obtained were weighted by molecular weight fraction to calculate an overall vapour pressure for chamomile oil. Where experimental vapour pressure values were available, these superseded the predicted value for that constituent. The overall vapour pressure of Chamomile oil was predicted to be 291.75 Pa.
Executive summary:

Vapour pressures were predicted for the six constituent substances of chamomile oil (UVCB) using EPISuite (MPBPVP model). The vapour pressure values obtained were weighted by molecular weight fraction to calculate an overall vapour pressure for chamomile oil. Where experimental vapour pressure values were available, these superseded the predicted value for that constituent. The overall vapour pressure of Chamomile oil was predicted to be 291.75 Pa.

Description of key information

Vapour pressures were predicted for the six constituent substances of Chamomile oil (UVCB) using EPISuite (MPBPVP model). The vapour pressure values obtained were weighted by molecular weight fraction to calculate an overall vapour pressure for Chamomile oil. Where experimental vapour pressure values were available, these superseded the predicted value for that constituent. The overall vapour pressure of Chamomile oil was predicted to be 291.75 Pa.

Key value for chemical safety assessment

Vapour pressure:
291.75 Pa

Additional information