Chemical Properties of Caryophylla-3,8(15)-dien-5-one

Caryophylla-3,8(15)-dien-5-one

InChI
InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h6H,1,5,7-11H2,2-4H3/b13-6+
InChI Key
ODYWEDCMANZQIY-MLPAPPSSSA-N
Formula
C15H24O
SMILES
C=C1CCC(=O)/C(C)=C\CCC(C)(C)CC1
Molecular Weight1
220.36
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Physical Properties

Property Value Unit Source
ΔfH°gas -227.27 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 8.83 kJ/mol Joback Calculated Property
logPoct/wat 4.438 Crippen Calculated Property
McVol 204.320 ml/mol McGowan Calculated Property
Inp 1581.00 NIST
Tboil 586.67 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 [562.19; 688.17] J/mol×K [654.86; 900.64] Show Hide
Cp,gas 562.19 J/mol×K 654.86 Joback Calculated Property
Cp,gas 586.47 J/mol×K 695.82 Joback Calculated Property
Cp,gas 609.35 J/mol×K 736.79 Joback Calculated Property
Cp,gas 630.89 J/mol×K 777.75 Joback Calculated Property
Cp,gas 651.17 J/mol×K 818.71 Joback Calculated Property
Cp,gas 670.24 J/mol×K 859.68 Joback Calculated Property
Cp,gas 688.17 J/mol×K 900.64 Joback Calculated Property

Similar Compounds

caryophylla-2(12),6-dien-5-one. Cryptomerione. (R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone. Caryophylla-4(14),8(15)-dien-5-one. E-7-isopropenyl-4-methyl-10-methylene-4-cyclodecene-1-one. 1-Propanone, 1-(1-cyclohexen-1-yl)-. cis-Megastigma-5,8-diene-4-one. (3S,4aR,5S)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one. Carvone. D-Carvone. (-)-Carvone. 8-(4-Methylpentene-3-yl) spiro[5.5]decene-8-one-1. p-Menth-6-en-2-one. 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (s)-. Acorenone.

Find more compounds similar to Caryophylla-3,8(15)-dien-5-one.

Sources

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