Chemical Properties of (3R,3aR,6R,7[a]S)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one

(3R,3aR,6R,7[a]S)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one

InChI
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m1/s1
InChI Key
FGDINYRLQOKVQS-RBXMUDONSA-N
Formula
C10H16O2
SMILES
C[C@@H]1CC[C@@H]2[C@H](C1)OC(=O)[C@@H]2C
Molecular Weight1
168.24
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Physical Properties

Property Value Unit Source
ΔfusH° 21.26 kJ/mol Joback Calculated Property
logPoct/wat 1.984 Crippen Calculated Property
McVol 137.480 ml/mol McGowan Calculated Property
I [2186.00; 2186.00]   Show Hide
I 2186.00 NIST
I 2186.00 NIST
Tfus 327.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [358.98; 464.00] J/mol×K [539.92; 767.98] Show Hide
Cp,gas 358.98 J/mol×K 539.92 Joback Calculated Property
Cp,gas 379.23 J/mol×K 577.93 Joback Calculated Property
Cp,gas 398.36 J/mol×K 615.94 Joback Calculated Property
Cp,gas 416.39 J/mol×K 653.95 Joback Calculated Property
Cp,gas 433.33 J/mol×K 691.96 Joback Calculated Property
Cp,gas 449.20 J/mol×K 729.97 Joback Calculated Property
Cp,gas 464.00 J/mol×K 767.98 Joback Calculated Property

Similar Compounds

(3R,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. (3S,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. Hexahydro-3-butylphthalide. 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester. 1,2-Cyclohexanedicarboxylic acid, di(3,5-dimethylcyclohexyl) ester. 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-methylcyclohexyl ester. Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)-. Menthyl valerate. 1,2-Cyclohexanedicarboxylic acid, butyl 2-methylcyclohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl butyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl pentadecyl ester. 1,2-Cyclohexanedicarboxylic acid, heptadecyl 2-methylcyclohexyl ester. 1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylcyclohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl tetradecyl ester.

Find more compounds similar to (3R,3aR,6R,7[a]S)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one.

Sources

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