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

Physical Properties

Property Value Unit Source
Δcliquid -4589.00 kJ/mol NIST
Δf -8.81 kJ/mol Joback Calculated Property
Δfgas [-222.00; -218.00] kJ/mol Show Hide
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; 9.10] eV Show Hide
IE 8.80 eV NIST
IE 9.07 ± 0.05 eV NIST
IE 9.10 eV NIST
log10WS -1.76 Crippen Calculated Property
logPoct/wat 1.766 Crippen Calculated Property
McVol 103.430 ml/mol McGowan 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 0.389 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [232.73; 321.98] J/mol×K [472.28; 702.14] Show Hide
Cp,gas 232.73 J/mol×K 472.28 Joback Calculated Property
Cp,gas 250.02 J/mol×K 510.59 Joback Calculated Property
Cp,gas 266.30 J/mol×K 548.90 Joback Calculated Property
Cp,gas 281.60 J/mol×K 587.21 Joback Calculated Property
Cp,gas 295.95 J/mol×K 625.52 Joback Calculated Property
Cp,gas 309.40 J/mol×K 663.83 Joback Calculated Property
Cp,gas 321.98 J/mol×K 702.14 Joback Calculated Property

Similar Compounds

Bicyclo[3.3.1]nonan-2-one. Cyclohexanone, 5-methyl-2-propyl, trans. Cyclohexanone, 5-methyl-2-propyl, cis. Bicyclo(3.3.1)nonane-2,6-dione. 2-Norbornanone. Bicyclo[3.2.1]octan-2-one. 1-Decalone (cis-trans). 1(2H)-Naphthalenone, octahydro-, trans-. Cyclohexanone, 2-butyl-. 2,5-Dimethylcyclohexanone. 1-Butanone, 1-cyclohexyl-. Cyclohexanone, 2-propyl-. 2-hexylcyclohexan-1-one. [1,1'-Bicyclohexyl]-2-one. 1-Propanone, 1-cyclohexyl-.

Find more compounds similar to Bicyclo[2.2.2]octanone.

Sources

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