Chemical Properties of Avenaciolide, 6-[2-(4-trifluoromethylphenyl)ethyl]

Avenaciolide, 6-[2-(4-trifluoromethylphenyl)ethyl]

InChI
InChI=1S/C16H13F3O4/c1-8-12-11(22-15(21)13(12)23-14(8)20)7-4-9-2-5-10(6-3-9)16(17,18)19/h2-3,5-6,11-13H,1,4,7H2/t11-,12-,13-/m1/s1
InChI Key
YWLLMCGXMXJIBR-JHJVBQTASA-N
Formula
C16H13F3O4
SMILES
C=C1C(=O)OC2C(=O)OC(CCc3ccc(C(F)(F)F)cc3)C12
Molecular Weight1
326.27
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° 41.79 kJ/mol Joback Calculated Property
logPoct/wat 2.661 Crippen Calculated Property
McVol 206.710 ml/mol McGowan Calculated Property
Inp [2257.00; 2257.00]   Show Hide
Inp 2257.00 NIST
Inp 2257.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [307.68; 692.78] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.86580e+01
Coefficient B1.61400e+00
Coefficient C-1.22796e-03
Coefficient D3.55400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 307.68 J/mol×K 273.00 Calculated Property
Cp,gas 384.39 J/mol×K 353.78 Calculated Property
Cp,gas 449.99 J/mol×K 434.56 Calculated Property
Cp,gas 505.62 J/mol×K 515.33 Calculated Property
Cp,gas 552.40 J/mol×K 596.11 Calculated Property
Cp,gas 591.44 J/mol×K 676.89 Calculated Property
Cp,gas 623.87 J/mol×K 757.67 Calculated Property
Cp,gas 650.83 J/mol×K 838.44 Calculated Property
Cp,gas 673.42 J/mol×K 919.22 Calculated Property
Cp,gas 692.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

Avenaciolide, 6-[2-(4-methylphenyl)ethyl]. Avenaciolide, 6-[2-(4-fluorophenyl)ethyl]. Avenaciolide, 6-(2-phenylethyl). Avenaciolide, 6-[2-(4-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(3-bromophenyl)ethyl]. Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(2-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]. Acetyldihydrocodeine. DIHYDROMORPHINONE ACETATE. Hydromorphone. Hydrocodone. azadirachtin. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). 5,6-Dihydrouracil riboside, TMS.

Find more compounds similar to Avenaciolide, 6-[2-(4-trifluoromethylphenyl)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.