Chemical Properties of Bicyclo[2.2.2]octanone (CAS 2716-23-6)

Bicyclo[2.2.2]octanone

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InChI
InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2
InChI Key
VEPYQCZRVLNDBC-UHFFFAOYSA-N
Formula
C8H12O
SMILES
O=C1CC2CCC1CC2
Molecular Weight1
124.18
CAS
2716-23-6
Other Names
  • Bicyclo[2.2.2]octan-2-one
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4589.00 kJ/mol NIST
Δf -8.81 kJ/mol Joback Calculated Property
Δfgas -218.00 ± 8.40 kJ/mol NIST
Δfgas -222.00 ± 5.40 kJ/mol NIST
Δfliquid -274.00 ± 4.60 kJ/mol NIST
Δfus 8.06 kJ/mol Joback Calculated Property
Δvap 52.00 ± 2.00 kJ/mol NIST
IE 8.80 eV NIST
IE 9.07 ± 0.05 eV NIST
IE 9.10 eV NIST
logPoct/wat 1.77 Crippen Calculated Property
Pc 3713.49 kPa Joback Calculated Property
Tboil 472.28 K Joback Calculated Property
Tc 702.14 K Joback Calculated Property
Tfus 276.98 K Joback Calculated Property
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 232.73 J/mol×K 472.28 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
>CH- (ring) 2
-CH2- (ring) 5

Similar Compounds

Cyclohexanone, 5-methyl-2-propyl, cis. Cyclohexanone, 5-methyl-2-propyl, trans. 2,5-Dimethylcyclohexanone. Cyclohexanone, 2-butyl-. 1-Propanone, 1-cyclohexyl-. Cyclohexanone, 2-propyl-. Cyclohexanone, 2-ethyl-. 1-Butanone, 1-cyclohexyl-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-. Bisabol-1-one. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-. 1-Decalone (cis-trans).

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