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

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

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-/m0/s1
InChI Key
HPTMZEXRPOEIKD-GFCCVEGCSA-N
Formula
C14H16O4
SMILES
O=C1CC[C@H](CCc2ccccc2)OC(=O)CO1
Molecular Weight1
248.28
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Physical Properties

Property Value Unit Source
ΔfusH° 30.83 kJ/mol Joback Calculated Property
ΔvapH° 100.15 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 1.868 Crippen Calculated Property
McVol 188.380 ml/mol McGowan Calculated Property
Inp [2145.00; 2145.00]   Show Hide
Inp 2145.00 NIST
Inp 2145.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 [518.23; 596.93] J/mol×K [674.05; 894.20] Show Hide
Cp,gas 518.23 J/mol×K 674.05 Joback Calculated Property
Cp,gas 534.33 J/mol×K 710.74 Joback Calculated Property
Cp,gas 549.19 J/mol×K 747.43 Joback Calculated Property
Cp,gas 562.83 J/mol×K 784.12 Joback Calculated Property
Cp,gas 575.31 J/mol×K 820.81 Joback Calculated Property
Cp,gas 586.66 J/mol×K 857.51 Joback Calculated Property
Cp,gas 596.93 J/mol×K 894.20 Joback Calculated Property
η [0.0001869; 0.0024193] Pa×s [373.04; 674.05] Show Hide
η 0.0024193 Pa×s 373.04 Joback Calculated Property
η 0.0012260 Pa×s 423.21 Joback Calculated Property
η 0.0007175 Pa×s 473.38 Joback Calculated Property
η 0.0004654 Pa×s 523.54 Joback Calculated Property
η 0.0003256 Pa×s 573.71 Joback Calculated Property
η 0.0002412 Pa×s 623.88 Joback Calculated Property
η 0.0001869 Pa×s 674.05 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Avenaciolide, 1-dihydro-6-(2-phenylethyl)-4-demethylene.

Sources

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