Chemical Properties of 2-Cyclohexen-1-one, 3-phenyl-

2-Cyclohexen-1-one, 3-phenyl-

InChI
InChI=1S/C12H12O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChI Key
DIELDZAPFMXAHA-UHFFFAOYSA-N
Formula
C12H12O
SMILES
O=C1C=C(c2ccccc2)CCC1
Molecular Weight1
172.23
Other Names
  • 1-Phenylcyclohexen-3-one
  • 3-Phenyl-2-cyclohexenone
  • 3-phenylcyclohex-2-en-1-one
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Physical Properties

Property Value Unit Source
ω 0.4086 Relay (1.0) Calculated Property
ΔfH°gas -6.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.98 kJ/mol Joback Calculated Property
ΔvapH° 76.85 kJ/mol Relay (1.0) Calculated Property
IE 8.55 eV Relay (1.0) Calculated Property
log10WS -2.39 Relay (1.0) Calculated Property
logPoct/wat 2.823 Crippen Calculated Property
McVol 142.590 ml/mol McGowan Calculated Property
Pc 3284.05 kPa Joback Calculated Property
Tboil 583.76 K Relay (1.0) Calculated Property
Tc 812.30 K Relay (1.0) Calculated Property
Tfus 294.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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 [164.85; 463.10] 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-5.49600e+01
Coefficient B9.29700e-01
Coefficient C-4.72840e-04
Coefficient D6.12000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 164.85 J/mol×K 273.00 Calculated Property
Cp,gas 217.48 J/mol×K 353.78 Calculated Property
Cp,gas 264.78 J/mol×K 434.56 Calculated Property
Cp,gas 306.95 J/mol×K 515.33 Calculated Property
Cp,gas 344.19 J/mol×K 596.11 Calculated Property
Cp,gas 376.68 J/mol×K 676.89 Calculated Property
Cp,gas 404.62 J/mol×K 757.67 Calculated Property
Cp,gas 428.21 J/mol×K 838.44 Calculated Property
Cp,gas 447.64 J/mol×K 919.22 Calculated Property
Cp,gas 463.10 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclohexene, 1-phenyl-. 1-Phenyl-1-cyclohexene. trans-1-Phenylcyclohexene. 10-Heneicosene, 11-phenyl-. Benzene, (1-hexyl-1-heptenyl)-. 1-(4-TOLYL)-1-CYCLOHEXENE. Naphthalene, 1-(1-decyl-1-undecenyl)-. Benzene, 1-cyclopenten-1-yl-. Benzene, 2-(1-decyl-1-undecenyl)-1,4-dimethyl-. 1,2,3,10a-Tetrahydrophenanthrene. Naphthalene, 1-(1-cyclopenten-1-yl)-. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. 1-Tetrahydrocannabinol, TBDMS. Propyl-1-tetrahydrocannabinol, TBDMS. Heptyl-1-tetrahydrocannabinol, TBDMS.

Find more compounds similar to 2-Cyclohexen-1-one, 3-phenyl-.

Sources

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