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

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

InChI
InChI=1S/C14H13BrO4/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
HLCOJZCLLLCBOV-NQBHXWOUSA-N
Formula
C14H13BrO4
SMILES
O=C1CC2C(CCc3cccc(Br)c3)OC(=O)C2O1
Molecular Weight1
325.15
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Physical Properties

Property Value Unit Source
ω 0.6007 Relay (1.0) Calculated Property
ΔfG° -143.73 kJ/mol Joback Calculated Property
ΔfH°gas -585.16 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.07 kJ/mol Joback Calculated Property
ΔvapH° 107.27 kJ/mol Relay (1.0) Calculated Property
IE 9.26 eV Relay (1.0) Calculated Property
log10WS -3.84 Relay (1.0) Calculated Property
logPoct/wat 2.239 Crippen Calculated Property
McVol 195.020 ml/mol McGowan Calculated Property
Pc 2928.17 kPa Joback Calculated Property
Inp 2540.00 NIST
Tboil 664.02 K Relay (1.0) Calculated Property
Tc 919.43 K Relay (1.0) Calculated Property
Tfus 381.52 K Relay (1.0) Calculated Property
Vc 0.706 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [585.61; 652.96] J/mol×K [824.43; 1090.81] Show Hide
Cp,gas 585.61 J/mol×K 824.43 Joback Calculated Property
Cp,gas 600.68 J/mol×K 868.83 Joback Calculated Property
Cp,gas 614.17 J/mol×K 913.22 Joback Calculated Property
Cp,gas 626.12 J/mol×K 957.62 Joback Calculated Property
Cp,gas 636.54 J/mol×K 1002.02 Joback Calculated Property
Cp,gas 645.48 J/mol×K 1046.41 Joback Calculated Property
Cp,gas 652.96 J/mol×K 1090.81 Joback Calculated Property

Similar Compounds

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

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

Sources

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