Chemical Properties of Avenaciolide, 1-dihydro-6-(2-phenylethyl)-4-demethylene

Avenaciolide, 1-dihydro-6-(2-phenylethyl)-4-demethylene

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InChI
InChI=1S/C14H16O4/c15-13-9-8-12(18-14(16)10-17-13)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m1/s1
InChI Key
HPTMZEXRPOEIKD-GFCCVEGCSA-N
Formula
C14H16O4
SMILES
O=C1CCC(CCc2ccccc2)OC(=O)CO1
Molecular Weight1
248.27
Sources

Physical Properties

Property Value Unit Source
Δf -237.76 kJ/mol Joback Calculated Property
Δfgas -593.16 kJ/mol Joback Calculated Property
Δfus 28.67 kJ/mol Joback Calculated Property
Δvap 67.32 kJ/mol Joback Calculated Property
logPoct/wat 1.87 Crippen Calculated Property
Pc 2701.41 kPa Joback Calculated Property
Tboil 764.03 K Joback Calculated Property
Tc 1027.65 K Joback Calculated Property
Tfus 463.88 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 572.38 J/mol×K 764.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 2
>C=O (ring) 2
>CH- (ring) 1
-CH2- (ring) 3

Similar Compounds

Avenaciolide, 1-dihydro-6-[2-(4-methylphenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(4-fluorophenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(4-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(3-bromophenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(3-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(4-trifluoromethylphenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(2-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene. Avenaciolide, 6-(2-phenylethyl)-4-demethylene. Avenaciolide, 6-[2-(4-methylphenyl)ethyl]-4-demethylene. Succinic acid, hept-2-yl 3-phenylpropyl ester. Succinic acid, dec-2-yl 3-phenylpropyl ester. Avenaciolide, 6-[2-(4-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(4-fluorophenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(3-bromophenyl)ethyl]-4-demethylene.

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