Chemical Properties of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)-

1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)-

InChI
InChI=1S/C12H14O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-9,11-12H,3-5H2
InChI Key
AWDQKLULSIAWOR-UHFFFAOYSA-N
Formula
C12H14O
SMILES
O=C1CC2CC1C1C3C=CC(C3)C21
Molecular Weight1
174.24
Other Names
  • 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1«alpha»,4«alpha»,4a«beta»,5«beta»,8«beta»,8a«beta»)-
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Physical Properties

Property Value Unit Source
ΔfusH° 22.25 kJ/mol Joback Calculated Property
IE [8.40; 8.74] eV Show Hide
IE 8.40 eV NIST
IE 8.74 eV NIST
logPoct/wat 2.034 Crippen Calculated Property
McVol 133.770 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 [170.70; 538.52] 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-1.52900e+02
Coefficient B1.47010e+00
Coefficient C-1.14228e-03
Coefficient D3.63600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 170.70 J/mol×K 273.00 Calculated Property
Cp,gas 240.32 J/mol×K 353.78 Calculated Property
Cp,gas 300.07 J/mol×K 434.56 Calculated Property
Cp,gas 351.10 J/mol×K 515.33 Calculated Property
Cp,gas 394.56 J/mol×K 596.11 Calculated Property
Cp,gas 431.59 J/mol×K 676.89 Calculated Property
Cp,gas 463.36 J/mol×K 757.67 Calculated Property
Cp,gas 491.00 J/mol×K 838.44 Calculated Property
Cp,gas 515.67 J/mol×K 919.22 Calculated Property
Cp,gas 538.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,4:5,8-Dimethanonaphthalen-9-one, 1,4,4a,5,6,7,8,8a-octahydro-, (1α,4α,4aα,5β,8β,8aα)-. endo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-one. exo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-one. endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one. exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one. Bicyclo[2.2.1]hept-5-ene, 2-acetyl-. 5«alpha»-Stigmast-22-ene-3,6-dione. trans-2-Isopropylbicylclo[4.3.0]non-3-ene-8-one. 5-Norbornane-2-carboxaldehyde. 1,4,4a,8a-Tetrahydro-1,4-methanonaphthalene-5,8-dione. Tricyclo[4.2.1.02,5]non-7-ene-3,4-dione, (1«alpha»,2«beta»,5«beta»,6«alpha»)-. (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one. 5-Norbornen-2-one. endo-(2s,7R)-Tricyclo[6.2.2.0(2,7)]-4,9-dodecadiene-3,6-dione. Salsolene ketone.

Find more compounds similar to 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)-.

Sources

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