Chemical Properties of CYCLOHEXANONE, 2-(1-CYCLOHEXEN-1-YL)-

CYCLOHEXANONE, 2-(1-CYCLOHEXEN-1-YL)-

InChI
InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
InChI Key
GVNVAWHJIKLAGL-UHFFFAOYSA-N
Formula
C12H18O
SMILES
O=C1CCCCC1C1=CCCCC1
Molecular Weight1
178.28
Other Names
  • 2-(1-Cyclohexen-1-yl)cyclohexanone
  • 2-(1-Cyclohexenyl)cyclohexanone
  • 2-(1-cyclohexen-1-yl)cyclohexan-1-one
  • 2-(Cyclohex-1-enyl)cyclohexanone
  • 2-Cyclohexenylcyclohexanone
  • CHCH
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Physical Properties

Property Value Unit Source
ΔcH°liquid -7005.87 ± 0.74 kJ/mol NIST
ΔfH°gas -219.50 ± 1.80 kJ/mol NIST
ΔfH°liquid -288.80 ± 1.80 kJ/mol NIST
ΔfusH° 9.78 kJ/mol Joback Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
logPoct/wat 3.246 Crippen Calculated Property
McVol 155.490 ml/mol McGowan Calculated Property
Tboil 545.92 K Relay (1.0) Calculated Property
Tfus 195.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 416.00 ± 1.00 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [183.99; 566.70] 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-8.66600e+01
Coefficient B1.13070e+00
Coefficient C-5.22640e-04
Coefficient D4.53000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 183.99 J/mol×K 273.00 Calculated Property
Cp,gas 249.95 J/mol×K 353.78 Calculated Property
Cp,gas 309.71 J/mol×K 434.56 Calculated Property
Cp,gas 363.43 J/mol×K 515.33 Calculated Property
Cp,gas 411.24 J/mol×K 596.11 Calculated Property
Cp,gas 453.28 J/mol×K 676.89 Calculated Property
Cp,gas 489.71 J/mol×K 757.67 Calculated Property
Cp,gas 520.66 J/mol×K 838.44 Calculated Property
Cp,gas 546.27 J/mol×K 919.22 Calculated Property
Cp,gas 566.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

4,7-Dimethylbicyclo[3.2.1]oct-3-en-6-one. (+)-(5S,7S,10S)-Eudesma-3,11-dien-8-one. (+)-Eudesma-3,11-dien-8-one. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-. 1-H-Indene-1-one-2,4,5,6,7,7a hexahydro-4,4,7a trimethyl. 9-(S)-Methyl-«delta»-5(10)-octalin-1,6-dione. (Z)-2-Methyl-6-(4-methyl-5-(3-methylbut-2-enoyl)cyclohex-3-en-1-yl)hepta-2,5-dien-4-one. 13-nor-Eudesm-5-en-11-one. 13-nor-Eudesm-5-en-11-one, 7«beta». 13-nor-Eudesma-5-en-11-one (epimer B). 13-nor-Eudesm-5-en-11-one, 7«alpha». CHILOSCYPHONE. Salsolene ketone. 8-«alpha»-Methyl-11,12,13-tris-nor-eremophil-1(10)-en-7-one. (+)-3,4,4aR,7,8,8aR-hexahydro5,8a-dimethyl-naphthalen-2(1H)-one.

Find more compounds similar to CYCLOHEXANONE, 2-(1-CYCLOHEXEN-1-YL)-.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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