Chemical Properties of (3aR,4aS,5R,9aS)-5,8-Dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one

(3aR,4aS,5R,9aS)-5,8-Dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one

InChI
InChI=1S/C15H20O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h8,12-14H,3-7H2,1-2H3
InChI Key
GAPVTYWDGWKUKK-UHFFFAOYSA-N
Formula
C15H20O2
SMILES
C=C1C(=O)OC2CC(C)=C3CCC(C)C3CC12
Molecular Weight1
232.32
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 28.46 kJ/mol Joback Calculated Property
logPoct/wat 3.241 Crippen Calculated Property
McVol 188.470 ml/mol McGowan Calculated Property
Inp [1948.00; 1967.10]   Show Hide
Inp 1967.10 NIST
Inp 1967.10 NIST
Inp 1948.00 NIST
Inp 1948.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [562.96; 668.18] J/mol×K [678.28; 913.85] Show Hide
Cp,gas 562.96 J/mol×K 678.28 Joback Calculated Property
Cp,gas 583.85 J/mol×K 717.54 Joback Calculated Property
Cp,gas 603.34 J/mol×K 756.80 Joback Calculated Property
Cp,gas 621.47 J/mol×K 796.06 Joback Calculated Property
Cp,gas 638.29 J/mol×K 835.33 Joback Calculated Property
Cp,gas 653.85 J/mol×K 874.59 Joback Calculated Property
Cp,gas 668.18 J/mol×K 913.85 Joback Calculated Property

Similar Compounds

Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a«alpha»,6a«alpha»,9a«alpha»,9b«beta»)]-. ISOALANTOLACTONE. Dehydrocostus lactone. Santamarine. .beta.-Cyclocostunolide. Reynosin. (3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one. (3S,3aR)-3-Butyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one. sedanolide. Costunolide. 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-. 2(3H)-Benzofuranone, 6-ethenylhexahydro-6-methyl-3-methylene-7-(1-methylethenyl)-, [3aS-(3a«alpha»,6«alpha»,7«beta»,7a«beta»)]-. 5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one. Eudesma-5,11(13)-dien-8,12-olide. HANPHYLLIN.

Find more compounds similar to (3aR,4aS,5R,9aS)-5,8-Dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.