Chemical Properties of Avenaciolide, 1-dihydro-6-[2-(4-methylphenyl)ethyl]-4-demethylene

Avenaciolide, 1-dihydro-6-[2-(4-methylphenyl)ethyl]-4-demethylene

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InChI
InChI=1S/C15H18O4/c1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)18-10-15(17)19-13/h2-5,13H,6-10H2,1H3/t13-/m1/s1
InChI Key
MJJDYPXFUCBUEY-CYBMUJFWSA-N
Formula
C15H18O4
SMILES
Cc1ccc(CCC2CCC(=O)OCC(=O)O2)cc1
Molecular Weight1
262.30
Sources

Physical Properties

Property Value Unit Source
Δf -238.97 kJ/mol Joback Calculated Property
Δfgas -625.27 kJ/mol Joback Calculated Property
Δfus 30.87 kJ/mol Joback Calculated Property
Δvap 70.21 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 2414.74 kPa Joback Calculated Property
Tboil 791.89 K Joback Calculated Property
Tc 1050.24 K Joback Calculated Property
Tfus 487.67 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 627.48 J/mol×K 791.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
>C=O (ring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
-CH3 1
>CH- (ring) 1
-CH2- (ring) 3

Similar Compounds

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

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