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

3-Trifluoromethylcinnamic acid, 2-chlorophenyl ester

InChI
InChI=1S/C16H10ClF3O2/c17-13-6-1-2-7-14(13)22-15(21)9-8-11-4-3-5-12(10-11)16(18,19)20/h1-10H/b9-8-
InChI Key
KBHSDKMMEATZAF-HJWRWDBZSA-N
Formula
C16H10ClF3O2
SMILES
O=C(/C=C/c1cccc(C(F)(F)F)c1)Oc1ccccc1Cl
Molecular Weight1
326.70
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
Δfus 33.51 kJ/mol Joback Calculated Property
IE 8.78 eV Relay (1.0) Calculated Property
logPoct/wat 4.978 Crippen Calculated Property
McVol 209.470 ml/mol McGowan Calculated Property
Inp [1960.50; 1960.50]   Show Hide
Inp 1960.50 NIST
Inp 1960.50 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, 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 [543.97; 603.64] J/mol×K [741.26; 969.54] Show Hide
Cp,gas 543.97 J/mol×K 741.26 Joback Calculated Property
Cp,gas 556.22 J/mol×K 779.31 Joback Calculated Property
Cp,gas 567.43 J/mol×K 817.35 Joback Calculated Property
Cp,gas 577.70 J/mol×K 855.40 Joback Calculated Property
Cp,gas 587.09 J/mol×K 893.45 Joback Calculated Property
Cp,gas 595.71 J/mol×K 931.49 Joback Calculated Property
Cp,gas 603.64 J/mol×K 969.54 Joback Calculated Property

Similar Compounds

trans-3-Trifluoromethylcinnamic acid, 4-chlorophenyl ester. trans-3-Trifluoromethylcinnamic acid, 3,4-dichlorophenyl ester. 3-Trifluoromethylcinnamic acid, phenyl ester. trans-3-Trifluoromethylcinnamic acid, 4-methoxyphenyl ester. trans-3-Trifluoromethylcinnamic acid, 3-methylphenyl ester. 3-Trifluoromethylcinnamic acid, 2-methylphenyl ester. trans-3-Trifluoromethylcinnamic acid, 4-cyanophenyl ester. trans-3-Trifluoromethylcinnamic acid, 3,5-dimethylphenyl ester. 3-Trifluoromethylcinnamic acid, 3,5-difluorophenyl ester. 3-Trifluoromethylcinnamic acid, 2-isopropoxyphenyl ester. trans-3-Trifluoromethylcinnamic acid, 4-nitrophenyl ester. 3-Trifluoromethylcinnamic acid, 2-bromo-4-fluorophenyl ester. 3-Trifluoromethylcinnamic acid, 5-fluoro-2-nitrophenyl ester. trans-3-Trifluoromethylcinnamic acid, oct-3-en-2-yl ester. 6-(1'-Hydroxyethyl)-7-methoxy-2,2-dimethylchromene.

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