Chemical Properties of 7a-Methyl-3-methylenehexahydrobenzofuran-2-one (CAS 67498-53-7)

7a-Methyl-3-methylenehexahydrobenzofuran-2-one

InChI
InChI=1S/C10H14O2/c1-7-8-5-3-4-6-10(8,2)12-9(7)11/h8H,1,3-6H2,2H3
InChI Key
CPAWXRWDKTWXJD-UHFFFAOYSA-N
Formula
C10H14O2
SMILES
C=C1C(=O)OC2(C)CCCCC12
Molecular Weight1
166.22
CAS
67498-53-7
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
ΔfusH° 12.74 kJ/mol Joback Calculated Property
logPoct/wat 2.048 Crippen Calculated Property
McVol 133.180 ml/mol McGowan Calculated Property
Inp 1302.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [174.76; 480.02] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.14100e+02
Coefficient B1.36562e+00
Coefficient C-1.25980e-03
Coefficient D4.88300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 174.76 J/mol×K 273.00 Calculated Property
Cp,gas 232.97 J/mol×K 353.78 Calculated Property
Cp,gas 281.51 J/mol×K 434.56 Calculated Property
Cp,gas 321.91 J/mol×K 515.33 Calculated Property
Cp,gas 355.73 J/mol×K 596.11 Calculated Property
Cp,gas 384.50 J/mol×K 676.89 Calculated Property
Cp,gas 409.77 J/mol×K 757.67 Calculated Property
Cp,gas 433.08 J/mol×K 838.44 Calculated Property
Cp,gas 455.99 J/mol×K 919.22 Calculated Property
Cp,gas 480.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

ISOALANTOLACTONE. .beta.-Cyclocostunolide. Dehydrocostus lactone. (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. (3S,3aR)-3-Butyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one. sedanolide. Reynosin. 2(3H)-Benzofuranone, 6-ethenylhexahydro-6-methyl-3-methylene-7-(1-methylethenyl)-, [3aS-(3a«alpha»,6«alpha»,7«beta»,7a«beta»)]-. 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»)]-. Santamarine. 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-. Costunolide. HANPHYLLIN. Gazaniolide. 10-Epigazaniolide.

Find more compounds similar to 7a-Methyl-3-methylenehexahydrobenzofuran-2-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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.