Chemical Properties of Bicyclo[2.2.2]oct-5-en-2-one

Bicyclo[2.2.2]oct-5-en-2-one

InChI
InChI=1S/C8H10O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-7H,2,4-5H2
InChI Key
UJVGEBBKXJLFPB-UHFFFAOYSA-N
Formula
C8H10O
SMILES
O=C1CC2C=CC1CC2
Molecular Weight1
122.17
Other Names
  • Bicyclo[2.2.2]octenone
  • Bicyclo[2.2.2]oct-5-ene-2-one
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Physical Properties

Property Value Unit Source
ΔfusH° 9.28 kJ/mol Joback Calculated Property
IE [8.60; 8.96] eV Show Hide
IE 8.60 eV NIST
IE 8.96 ± 0.05 eV NIST
IE 8.73 eV NIST
logPoct/wat 1.542 Crippen Calculated Property
McVol 99.130 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [118.42; 362.92] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-7.09000e+01
Coefficient B8.22100e-01
Coefficient C-5.02280e-04
Coefficient D1.14000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 118.42 J/mol×K 273.00 Calculated Property
Cp,gas 162.12 J/mol×K 353.78 Calculated Property
Cp,gas 200.85 J/mol×K 434.56 Calculated Property
Cp,gas 234.97 J/mol×K 515.33 Calculated Property
Cp,gas 264.83 J/mol×K 596.11 Calculated Property
Cp,gas 290.79 J/mol×K 676.89 Calculated Property
Cp,gas 313.22 J/mol×K 757.67 Calculated Property
Cp,gas 332.48 J/mol×K 838.44 Calculated Property
Cp,gas 348.93 J/mol×K 919.22 Calculated Property
Cp,gas 362.92 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-Norbornen-2-one. Bicyclo[3.3.1]non-2-en-9-one. 3-Cyclohexen-1-one, 2-isopropyl-5-methyl-. exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one. endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one. Bicyclo[3.3.1]non-3-en-2-one. Bicyclo[2.2.1]hept-5-ene, 2-acetyl-. endo-(2s,7R)-Tricyclo[6.2.2.0(2,7)]-4,9-dodecadiene-3,6-dione. 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)-. CYCLOHEXANONE, 2-(1-CYCLOHEXEN-1-YL)-. Bicyclo[3.3.1]nona-3,7-diene-2,6-dione. trans-Humul-9(E)-en-2,6-dione. 1,4:5,8-Dimethanonaphthalen-9-one, 1,4,4a,5,6,7,8,8a-octahydro-, (1α,4α,4aα,5β,8β,8aα)-. (3S,4aR,5S,8aS)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-1(8aH)-one. exo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-one.

Find more compounds similar to Bicyclo[2.2.2]oct-5-en-2-one.

Sources

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