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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:
other: estimated data
Principles of method if other than guideline:
Estimate the vapour pressure of [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material : [1R-(1α, 2α, 5β, 8β)]-4, 4, 8-trimethyltricyclo [6.3.1.02, 5] dodecan-1-yl acetate
- Molecular formula : C17H28O2
- Molecular weight : 264.4062 g/mol
- Smiles notation : CC(=O)O[C@@]12CCC[C@@](C)(CC[C@@H] 3[C@@H]1CC3(C)C)C2
- InChl : 1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1
- Substance type: Organic
- Physical state: Liquid
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0.048 Pa
Remarks on result:
other: Estimated data
Conclusions:
The estimated vapour pressure of [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate at 25 deg C was 0.0481 Pa.
Executive summary:

Modified Grain method was used to estimate the vapour pressure of [1R-(1α,2α,5β,8β)]-4,4,8 -trimethyltricyclo[6.3.1.02,5]dodecan-1 -yl acetate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of [1R-(1α,2α,5β,8β)]-4,4,8 -trimethyltricyclo[6.3.1.02,5]dodecan-1 -yl acetate at 25 deg C was 0.0481 Pa.

Description of key information

The estimated vapour pressure of [1R-(1α,2α,5β,8β)]-4,4,8 -trimethyltricyclo[6.3.1.02,5]dodecan-1 -yl acetate at 25 deg C was 0.0481 Pa.

Key value for chemical safety assessment

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

Additional information

Modified Grain method was used to estimate the vapour pressure of [1R-(1α,2α,5β,8β)]-4,4,8 -trimethyltricyclo[6.3.1.02,5]dodecan-1 -yl acetate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of [1R-(1α,2α,5β,8β)]-4,4,8 -trimethyltricyclo[6.3.1.02,5]dodecan-1 -yl acetate at 25 deg C was 0.0481 Pa.