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

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

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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-JBDRJPRFSA-N
Formula
C10H16O2
SMILES
CC1C(=O)OC2CC(C)CCC12
Molecular Weight1
168.23
Sources

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
logPoct/wat 1.98 Crippen Calculated Property
Pc 2820.33 kPa Joback Calculated Property
Tboil 539.92 K Joback Calculated Property
Tc 767.98 K Joback Calculated Property
Tfus 314.09 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 358.98 J/mol×K 539.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 2
>CH- (ring) 4
-CH2- (ring) 3
>C=O (ring) 1

Similar Compounds

(3R,3aR,6R,7[a]S)-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. Menthyl valerate. Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)-. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl ethyl ester. 1,2-Cyclohexanedicarboxylic acid, di(2-adamantyl) ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl decyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl heptyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl butyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl hexyl ester.

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