Chemical Properties of caryophylla-2(12),6-dien-5-one

caryophylla-2(12),6-dien-5-one

InChI
InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-13H,1,6-9H2,2-4H3/b11-5+/t12-,13-/m1/s1
InChI Key
UVPVOJNEDSOAHT-CGGDQNISSA-N
Formula
C15H22O
SMILES
C=C1CCC(=O)/C(C)=C\C[C@@H]2[C@@H]1CC2(C)C
Molecular Weight1
218.34
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Physical Properties

Property Value Unit Source
ΔfusH° 14.33 kJ/mol Joback Calculated Property
ΔvapH° 73.95 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
McVol 193.460 ml/mol McGowan Calculated Property
Tboil 572.38 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [542.29; 660.59] J/mol×K [644.32; 882.97] Show Hide
Cp,gas 542.29 J/mol×K 644.32 Joback Calculated Property
Cp,gas 564.74 J/mol×K 684.09 Joback Calculated Property
Cp,gas 585.94 J/mol×K 723.87 Joback Calculated Property
Cp,gas 606.00 J/mol×K 763.64 Joback Calculated Property
Cp,gas 625.05 J/mol×K 803.42 Joback Calculated Property
Cp,gas 643.20 J/mol×K 843.19 Joback Calculated Property
Cp,gas 660.59 J/mol×K 882.97 Joback Calculated Property

Similar Compounds

(3S,4aR,5S)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one. «beta»-Betulenal. cadina-4,10(15)-dien-3-one. caryophylla-4(12),8(13)-dien-5-one. Caryophylla-2(12),6(13)-diene-5-one. Caryophylla-2(12),6(13)-dien-5-one. 4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-3-ene. 1R,3Z,9s-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-3-ene. Cryptomerione. (R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone. Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-deriv.. (+)(E)-Caryophyllene. (E)-«beta»-Caryophyllene. Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-. «beta»-cis-Caryophyllene.

Find more compounds similar to caryophylla-2(12),6-dien-5-one.

Sources

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