Chemical Properties of endo-(2s,7R)-Tricyclo[6.2.2.0(2,7)]-4,9-dodecadiene-3,6-dione (CAS 2816-25-3)

endo-(2s,7R)-Tricyclo[6.2.2.0(2,7)]-4,9-dodecadiene-3,6-dione

InChI
InChI=1S/C12H12O2/c13-9-5-6-10(14)12-8-2-1-7(3-4-8)11(9)12/h1-2,5-8,11-12H,3-4H2
InChI Key
RVYRSLQPTCIBMM-UHFFFAOYSA-N
Formula
C12H12O2
SMILES
O=C1C=CC(=O)C2C3C=CC(CC3)C12
Molecular Weight1
188.22
CAS
2816-25-3
Other Names
  • Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione
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Physical Properties

Property Value Unit Source
ΔcH°solid -6215.30 kJ/mol NIST
ΔfH°gas -198.56 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid -222.00 kJ/mol NIST
ΔfusH° 17.48 kJ/mol Joback Calculated Property
IE 9.20 eV Relay (1.0) Calculated Property
logPoct/wat 1.523 Crippen Calculated Property
McVol 141.900 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 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 [177.10; 525.29] 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-7.97500e+01
Coefficient B1.09260e+00
Coefficient C-5.81560e-04
Coefficient D9.40000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 177.10 J/mol×K 273.00 Calculated Property
Cp,gas 238.16 J/mol×K 353.78 Calculated Property
Cp,gas 292.94 J/mol×K 434.56 Calculated Property
Cp,gas 341.72 J/mol×K 515.33 Calculated Property
Cp,gas 384.82 J/mol×K 596.11 Calculated Property
Cp,gas 422.51 J/mol×K 676.89 Calculated Property
Cp,gas 455.11 J/mol×K 757.67 Calculated Property
Cp,gas 482.91 J/mol×K 838.44 Calculated Property
Cp,gas 506.20 J/mol×K 919.22 Calculated Property
Cp,gas 525.29 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,4,4a,8a-Tetrahydro-1,4-methanonaphthalene-5,8-dione. (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one. Bicyclo[3.3.1]non-3-en-2-one. Bicyclo[2.2.1]hept-5-ene, 2-acetyl-. 5-Oxo-«delta»4-decahydrobenzindene. 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. Tricyclo[4.2.1.02,5]non-7-ene-3,4-dione, (1«alpha»,2«beta»,5«beta»,6«alpha»)-. 1,4:5,8-Dimethanonaphthalen-9-one, 1,4,4a,5,6,7,8,8a-octahydro-, (1α,4α,4aα,5β,8β,8aα)-. Bicyclo[3.3.1]non-2-en-9-one. mustakone. isomustakone. mustakone. 5Alpha-androsta-1-ene-3,11,17-trione. 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)-.

Find more compounds similar to endo-(2s,7R)-Tricyclo[6.2.2.0(2,7)]-4,9-dodecadiene-3,6-dione.

Sources

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