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

PDF Excel Molecule Calculator
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+/m0/s1
InChI Key
FGDINYRLQOKVQS-RBXMUDONSA-N
Formula
C10H16O2
SMILES
CC1CCC2C(C1)OC(=O)C2C
Molecular Weight1
168.23
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Physical Properties

Property Value Unit Source
Δf -105.61 kJ/mol Joback Calculated Property
Δfgas -432.99 kJ/mol Joback Calculated Property
Δfus 21.26 kJ/mol Joback Calculated Property
Δvap 46.34 kJ/mol Joback Calculated Property
log10WS -2.05 Crippen Calculated Property
logPoct/wat 1.984 Crippen Calculated Property
McVol 137.480 ml/mol McGowan Calculated Property
Pc 2820.33 kPa Joback Calculated Property
I [2186.00; 2186.00]   Show Hide
I 2186.00 NIST
I 2186.00 NIST
Tboil 539.92 K Joback Calculated Property
Tc 767.98 K Joback Calculated Property
Tfus 314.09 K Joback Calculated Property
Vc 0.511 m3/kmol Joback Calculated Property

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 undecyl ester. 1,2-Cyclohexanedicarboxylic acid, heptadecyl 2-methylcyclohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylcyclohexyl ester. 1,2-Cyclohexanedicarboxylic acid, isohexyl 2-methylcyclohexyl 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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