Chemical Properties of (3S,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

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-KZVJFYERSA-N
Formula
C10H16O2
SMILES
C[C@@H]1CC[C@@H]2[C@H](C)C(=O)O[C@@H]2C1
Molecular Weight1
168.24
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Physical Properties

Property Value Unit Source
ΔfusH° 22.34 kJ/mol Joback Calculated Property
logPoct/wat 1.984 Crippen Calculated Property
McVol 137.480 ml/mol McGowan Calculated Property
I [2095.00; 2095.00]   Show Hide
I 2095.00 NIST
I 2095.00 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 [335.02; 429.92] J/mol×K [495.03; 697.60] Show Hide
Cp,gas 335.02 J/mol×K 495.03 Joback Calculated Property
Cp,gas 353.28 J/mol×K 528.79 Joback Calculated Property
Cp,gas 370.51 J/mol×K 562.55 Joback Calculated Property
Cp,gas 386.75 J/mol×K 596.32 Joback Calculated Property
Cp,gas 402.04 J/mol×K 630.08 Joback Calculated Property
Cp,gas 416.42 J/mol×K 663.84 Joback Calculated Property
Cp,gas 429.92 J/mol×K 697.60 Joback Calculated Property
η [0.0007407; 0.0012946] Pa×s [268.67; 495.03] Show Hide
η 0.0012946 Pa×s 268.67 Joback Calculated Property
η 0.0011139 Pa×s 306.40 Joback Calculated Property
η 0.0009905 Pa×s 344.12 Joback Calculated Property
η 0.0009015 Pa×s 381.85 Joback Calculated Property
η 0.0008345 Pa×s 419.58 Joback Calculated Property
η 0.0007823 Pa×s 457.30 Joback Calculated Property
η 0.0007407 Pa×s 495.03 Joback Calculated Property

Similar Compounds

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

Sources

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