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-/m0/s1
InChI Key
HLCOJZCLLLCBOV-NQBHXWOUSA-N
Formula
C14H13BrO4
SMILES
O=C1C[C@H]2[C@H](CCc3cccc(Br)c3)OC(=O)[C@H]2O1
Molecular Weight1
325.16
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 41.23 kJ/mol Joback Calculated Property
logPoct/wat 2.239 Crippen Calculated Property
McVol 195.020 ml/mol McGowan Calculated Property
Inp 2540.00 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, Enthalpy of vaporization 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 [535.51; 599.10] J/mol×K [734.45; 959.83] Show Hide
Cp,gas 535.51 J/mol×K 734.45 Joback Calculated Property
Cp,gas 548.27 J/mol×K 772.01 Joback Calculated Property
Cp,gas 560.04 J/mol×K 809.58 Joback Calculated Property
Cp,gas 570.91 J/mol×K 847.14 Joback Calculated Property
Cp,gas 580.98 J/mol×K 884.70 Joback Calculated Property
Cp,gas 590.34 J/mol×K 922.27 Joback Calculated Property
Cp,gas 599.10 J/mol×K 959.83 Joback Calculated Property
η [0.0015104; 0.0031782] Pa×s [469.62; 734.45] Show Hide
η 0.0031782 Pa×s 469.62 Joback Calculated Property
η 0.0026620 Pa×s 513.76 Joback Calculated Property
η 0.0022930 Pa×s 557.90 Joback Calculated Property
η 0.0020188 Pa×s 602.04 Joback Calculated Property
η 0.0018087 Pa×s 646.17 Joback Calculated Property
η 0.0016433 Pa×s 690.31 Joback Calculated Property
η 0.0015104 Pa×s 734.45 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.