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

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

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-/m0/s1
InChI Key
MJJDYPXFUCBUEY-CYBMUJFWSA-N
Formula
C15H18O4
SMILES
Cc1ccc(CC[C@H]2CCC(=O)OCC(=O)O2)cc1
Molecular Weight1
262.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -631.75 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.03 kJ/mol Joback Calculated Property
ΔvapH° 105.62 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.176 Crippen Calculated Property
McVol 202.470 ml/mol McGowan Calculated Property
Inp 2240.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [570.63; 649.97] J/mol×K [701.91; 919.29] Show Hide
Cp,gas 570.63 J/mol×K 701.91 Joback Calculated Property
Cp,gas 586.81 J/mol×K 738.14 Joback Calculated Property
Cp,gas 601.76 J/mol×K 774.37 Joback Calculated Property
Cp,gas 615.51 J/mol×K 810.60 Joback Calculated Property
Cp,gas 628.11 J/mol×K 846.83 Joback Calculated Property
Cp,gas 639.58 J/mol×K 883.06 Joback Calculated Property
Cp,gas 649.97 J/mol×K 919.29 Joback Calculated Property
η [0.0001666; 0.0018180] Pa×s [396.83; 701.91] Show Hide
η 0.0018180 Pa×s 396.83 Joback Calculated Property
η 0.0009736 Pa×s 447.68 Joback Calculated Property
η 0.0005922 Pa×s 498.52 Joback Calculated Property
η 0.0003950 Pa×s 549.37 Joback Calculated Property
η 0.0002821 Pa×s 600.22 Joback Calculated Property
η 0.0002124 Pa×s 651.06 Joback Calculated Property
η 0.0001666 Pa×s 701.91 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Avenaciolide, 1-dihydro-6-[2-(4-methylphenyl)ethyl]-4-demethylene.

Sources

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