Chemical Properties of Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]-4-demethylene

Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]-4-demethylene

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InChI
InChI=1S/C14H13ClO4/c15-9-3-1-2-8(6-9)4-5-11-10-7-12(16)19-13(10)14(17)18-11/h1-3,6,10-11,13H,4-5,7H2/t10-,11-,13-/m1/s1
InChI Key
PKAZUMWPTJAWHC-NQBHXWOUSA-N
Formula
C14H13ClO4
SMILES
O=C1CC2C(CCc3cccc(Cl)c3)OC(=O)C2O1
Molecular Weight1
280.70
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Physical Properties

Property Value Unit Source
ΔfG° -169.98 kJ/mol Joback Calculated Property
ΔfH°gas -549.43 kJ/mol Joback Calculated Property
ΔfusH° 37.98 kJ/mol Joback Calculated Property
ΔvapH° 71.46 kJ/mol Joback Calculated Property
log10WS -2.97 Crippen Calculated Property
logPoct/wat 2.130 Crippen Calculated Property
McVol 189.760 ml/mol McGowan Calculated Property
Pc 2619.09 kPa Joback Calculated Property
Inp 2435.00 NIST
Tboil 795.70 K Joback Calculated Property
Tc 1054.74 K Joback Calculated Property
Tfus 530.58 K Joback Calculated Property
Vc 0.714 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [574.36; 645.86] J/mol×K [795.70; 1054.74] Show Hide
Cp,gas 574.36 J/mol×K 795.70 Joback Calculated Property
Cp,gas 590.12 J/mol×K 838.87 Joback Calculated Property
Cp,gas 604.32 J/mol×K 882.05 Joback Calculated Property
Cp,gas 616.98 J/mol×K 925.22 Joback Calculated Property
Cp,gas 628.11 J/mol×K 968.39 Joback Calculated Property
Cp,gas 637.73 J/mol×K 1011.56 Joback Calculated Property
Cp,gas 645.86 J/mol×K 1054.74 Joback Calculated Property

Similar Compounds

Avenaciolide, 6-[2-(2-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(4-chlorophenyl)ethyl]-4-demethylene. Avenaciolide, 6-(2-phenylethyl)-4-demethylene. Avenaciolide, 6-[2-(4-methylphenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(4-trifluoromethylphenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(4-fluorophenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(3-bromophenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene. Avenaciolide, 6-[2-(2-chlorophenyl)ethyl]. 5-Hydroxytryptophan, methyl, 3-PFP. Avenaciolide, 6-[2-(4-chlorophenyl)ethyl]. inosine-5'-monophosphate, TMS. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS.

Find more compounds similar to Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]-4-demethylene.

Sources

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