Chemical Properties of amboryl (acetoxymethyl-isolongifolene) acetate

amboryl (acetoxymethyl-isolongifolene) acetate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3/t12?,13-,14?,17-,18?/m1/s1
InChI Key
ANPXCNWSCGYEMA-RVXBJCKXSA-N
Formula
C18H28O2
SMILES
CC(=O)OCC1CCC(C)(C)C23CC4CC2C13C4(C)C
Molecular Weight1
276.41
Sources

Physical Properties

Property Value Unit Source
Δf 76.77 kJ/mol Joback Calculated Property
Δfgas -362.35 kJ/mol Joback Calculated Property
Δfus 17.82 kJ/mol Joback Calculated Property
Δvap 58.77 kJ/mol Joback Calculated Property
logPoct/wat 4.04 Crippen Calculated Property
Pc 1851.52 kPa Joback Calculated Property
Tboil 697.17 K Joback Calculated Property
Tc 921.17 K Joback Calculated Property
Tfus 522.94 K Joback Calculated Property
Vc 0.89 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 719.23 J/mol×K 697.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 5
-CH2- 1
>C< (ring) 4
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 4

Similar Compounds

(-)-Isolongifolol, acetate. iso-Longifolol acetate. neo-iso-3-Thujyl acetate. Thujyl acetate. 3-Isothujyl acetate. neo-3-thujyl acetate. neo-iso-3-Thujyl acetate. iso-3-Thujyl acetate. (1R,3S,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-. (1R,3R,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel. 24(28)-Dihydrocycloeucalenol acetate. Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, acetate. trans-Myrtanyl acetate. cis-Myrtanyl acetate. (-)-trans-Myrtanyl acatate.

Find more compounds similar to amboryl (acetoxymethyl-isolongifolene) acetate.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.