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

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

InChI
InChI=1S/C15H13BrO4/c1-8-12-11(19-15(18)13(12)20-14(8)17)6-5-9-3-2-4-10(16)7-9/h2-4,7,11-13H,1,5-6H2/t11-,12-,13-/m1/s1
InChI Key
PQPPZWZZPBSQJW-JHJVBQTASA-N
Formula
C15H13BrO4
SMILES
C=C1C(=O)OC2C(=O)OC(CCc3cccc(Br)c3)C12
Molecular Weight1
337.17
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° 42.66 kJ/mol Joback Calculated Property
logPoct/wat 2.405 Crippen Calculated Property
McVol 204.810 ml/mol McGowan Calculated Property
Inp 1824.00 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 [561.78; 623.19] J/mol×K [756.49; 979.87] Show Hide
Cp,gas 561.78 J/mol×K 756.49 Joback Calculated Property
Cp,gas 574.05 J/mol×K 793.72 Joback Calculated Property
Cp,gas 585.38 J/mol×K 830.95 Joback Calculated Property
Cp,gas 595.88 J/mol×K 868.18 Joback Calculated Property
Cp,gas 605.61 J/mol×K 905.41 Joback Calculated Property
Cp,gas 614.69 J/mol×K 942.64 Joback Calculated Property
Cp,gas 623.19 J/mol×K 979.87 Joback Calculated Property
η [0.0016556; 0.0031321] Pa×s [494.57; 756.49] Show Hide
η 0.0031321 Pa×s 494.57 Joback Calculated Property
η 0.0026976 Pa×s 538.22 Joback Calculated Property
η 0.0023760 Pa×s 581.88 Joback Calculated Property
η 0.0021302 Pa×s 625.53 Joback Calculated Property
η 0.0019372 Pa×s 669.18 Joback Calculated Property
η 0.0017823 Pa×s 712.84 Joback Calculated Property
η 0.0016556 Pa×s 756.49 Joback Calculated Property

Similar Compounds

Avenaciolide, 6-(2-phenylethyl). Avenaciolide, 6-[2-(4-fluorophenyl)ethyl]. Avenaciolide, 6-[2-(4-trifluoromethylphenyl)ethyl]. Avenaciolide, 6-[2-(4-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(2-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(4-methylphenyl)ethyl]. Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]. Methyldihydromorphine. azadirachtin. Hydrocodone. DIHYDROMORPHINE. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Hydromorphone. DIHYDROMORPHINONE ACETATE.

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

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.