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
  • Cyclohexanone, 2-(1-cyclohexen-1-yl)-
  • CHCH
  • 2-(Cyclohex-1-enyl)cyclohexanone
  • 2-(1-Cyclohexen-1-yl)cyclohexanone
  • 2-Cyclohexenylcyclohexanone
  • 2-(1-cyclohexen-1-yl)cyclohexan-1-one
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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 303.33 K Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [407.65; 521.37] J/mol×K [589.69; 840.48] Show Hide
Cp,gas 407.65 J/mol×K 589.69 Joback Calculated Property
Cp,gas 430.35 J/mol×K 631.49 Joback Calculated Property
Cp,gas 451.53 J/mol×K 673.29 Joback Calculated Property
Cp,gas 471.20 J/mol×K 715.08 Joback Calculated Property
Cp,gas 489.38 J/mol×K 756.88 Joback Calculated Property
Cp,gas 506.10 J/mol×K 798.68 Joback Calculated Property
Cp,gas 521.37 J/mol×K 840.48 Joback Calculated Property

Pressure Dependent Properties

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

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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