Chemical Properties of Porosa-4,6-dien-7-one

Porosa-4,6-dien-7-one

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InChI
InChI=1S/C15H22O/c1-10(2)14(16)12-8-13-11(3)6-5-7-15(13,4)9-12/h8,10H,5-7,9H2,1-4H3/t15-/m1/s1
InChI Key
AUHXWVNWVPJIJR-OAHLLOKOSA-N
Formula
C15H22O
SMILES
CC1=C2C=C(C(=O)C(C)C)CC2(C)CCC1
Molecular Weight1
218.33
Sources

Physical Properties

Property Value Unit Source
Δf 62.51 kJ/mol Joback Calculated Property
Δfgas -226.94 kJ/mol Joback Calculated Property
Δfus 16.56 kJ/mol Joback Calculated Property
Δvap 57.41 kJ/mol Joback Calculated Property
logPoct/wat 4.05 Crippen Calculated Property
Pc 2169.38 kPa Joback Calculated Property
Tboil 640.49 K Joback Calculated Property
Tc 865.05 K Joback Calculated Property
Tfus 386.28 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 523.26 J/mol×K 640.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH3 4
=CH- (ring) 1
=C< (ring) 3
>C< (ring) 1
>C=O (nonring) 1
-CH2- (ring) 4

Similar Compounds

Porosadien-7-one. 13-nor-Eudesma-4,6-dien-11-one. Eudesma-4,6-dien-3-one (.beta.-cyperone). 4,6-Eudesmadiene-3,8-dione. 3-Oxo-«beta»-ionone. 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-. 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one. «beta»-iso-Methyl ionone. .alpha.-Isoamylionone. cis-3-Oxo-«alpha»-ionol. Dehydrofukinone. 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)-. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 13-nor-Eremophila-1(10),6-dien-11-one. 11,12,13-tris-nor-8,8-Dimethyleudesm-3,5-dien-7-one.

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