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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling database
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material : (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate
- common name : Geranyl propionate
- Molecular formula : C13H22O2
- Molecular weight : 210.3148 g/mol
- Smiles notation : CCC(=O)OC\C=C(/C)\CCC=C(C)C
- InChl : 1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
- Substance type: Organic
- Physical state: Liquid
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
3.09 Pa
Remarks on result:
other: Estimated data
Conclusions:
The estimated vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate at 25 deg C was 3.09 Pa.
Executive summary:

Modified Grain method was used to estimate the vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate at 25 deg C was 3.09 Pa.

Description of key information

The estimated vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate at 25 deg C was 3.09 Pa.

Key value for chemical safety assessment

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

Additional information

Modified Grain method was used to estimate the vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate at 25 deg C was 3.09 Pa.

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