Chemical Properties of 3-Trifluoromethylcinnamic acid, 2-methylphenyl ester

3-Trifluoromethylcinnamic acid, 2-methylphenyl ester

InChI
InChI=1S/C17H13F3O2/c1-12-5-2-3-8-15(12)22-16(21)10-9-13-6-4-7-14(11-13)17(18,19)20/h2-11H,1H3/b10-9+
InChI Key
GXXNUUCTTIPXNI-MDZDMXLPSA-N
Formula
C17H13F3O2
SMILES
Cc1ccccc1OC(=O)C=Cc1cccc(C(F)(F)F)c1
Molecular Weight1
306.28
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° 31.90 kJ/mol Joback Calculated Property
IE 8.75 eV Relay (1.0) Calculated Property
logPoct/wat 4.633 Crippen Calculated Property
McVol 211.320 ml/mol McGowan Calculated Property
Inp [1916.20; 1916.20]   Show Hide
Inp 1916.20 NIST
Inp 1916.20 NIST
Tboil 603.41 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [572.45; 641.09] J/mol×K [726.71; 948.48] Show Hide
Cp,gas 572.45 J/mol×K 726.71 Joback Calculated Property
Cp,gas 586.35 J/mol×K 763.67 Joback Calculated Property
Cp,gas 599.15 J/mol×K 800.63 Joback Calculated Property
Cp,gas 610.95 J/mol×K 837.60 Joback Calculated Property
Cp,gas 621.82 J/mol×K 874.56 Joback Calculated Property
Cp,gas 631.84 J/mol×K 911.52 Joback Calculated Property
Cp,gas 641.09 J/mol×K 948.48 Joback Calculated Property

Similar Compounds

trans-3-Trifluoromethylcinnamic acid, 3-methylphenyl ester. 3-Trifluoromethylcinnamic acid, phenyl ester. trans-3-Trifluoromethylcinnamic acid, 3,5-dimethylphenyl ester. trans-3-Trifluoromethylcinnamic acid, 4-methoxyphenyl ester. trans-3-Trifluoromethylcinnamic acid, 4-cyanophenyl ester. 3-Trifluoromethylcinnamic acid, 2-chlorophenyl ester. trans-3-Trifluoromethylcinnamic acid, 4-chlorophenyl ester. trans-3-Trifluoromethylcinnamic acid, 4-nitrophenyl ester. 3-Trifluoromethylcinnamic acid, 2-isopropoxyphenyl ester. trans-3-Trifluoromethylcinnamic acid, 3,4-dichlorophenyl ester. 3-Trifluoromethylcinnamic acid, 3,5-difluorophenyl ester. 3-Trifluoromethylcinnamic acid, 2-bromo-4-fluorophenyl ester. 3-Trifluoromethylcinnamic acid, 5-fluoro-2-nitrophenyl ester. 6-(1'-Hydroxyethyl)-2,2-dimethylchromene. (E)-Werneria chromene.

Find more compounds similar to 3-Trifluoromethylcinnamic acid, 2-methylphenyl ester.

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.