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

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

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InChI
InChI=1S/C14H15FO4/c15-11-4-1-10(2-5-11)3-6-12-7-8-13(16)18-9-14(17)19-12/h1-2,4-5,12H,3,6-9H2/t12-/m1/s1
InChI Key
UKIULMNSSNQUCF-GFCCVEGCSA-N
Formula
C14H15FO4
SMILES
O=C1CCC(CCc2ccc(F)cc2)OC(=O)CO1
Molecular Weight1
266.26
Sources

Physical Properties

Property Value Unit Source
Δf -442.20 kJ/mol Joback Calculated Property
Δfgas -800.74 kJ/mol Joback Calculated Property
Δfus 31.36 kJ/mol Joback Calculated Property
Δvap 67.17 kJ/mol Joback Calculated Property
logPoct/wat 2.01 Crippen Calculated Property
Pc 2540.49 kPa Joback Calculated Property
Tboil 768.28 K Joback Calculated Property
Tc 1020.98 K Joback Calculated Property
Tfus 476.99 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 579.16 J/mol×K 768.28 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Avenaciolide, 1-dihydro-6-(2-phenylethyl)-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(4-methylphenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(4-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(3-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 1-dihydro-6-[2-(3-bromophenyl)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-(4-fluorophenyl)ethyl]-4-demethylene. Avenaciolide, 6-(2-phenylethyl)-4-demethylene. Avenaciolide, 6-[2-(4-methylphenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(4-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(3-bromophenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(4-trifluoromethylphenyl)ethyl]-4-demethylene.

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