Chemical Properties of trans-3-Trifluoromethylcinnamic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C18H15F3O2/c1-12-8-13(2)10-16(9-12)23-17(22)7-6-14-4-3-5-15(11-14)18(19,20)21/h3-11H,1-2H3/b7-6+

InChI Key

PHEVAQCWROUTOW-VOTSOKGWSA-N

Formula

C18H15F3O2

SMILES

Cc1cc(C)cc(OC(=O)C=Cc2cccc(C(F)(F)F)c2)c1

Molecular Weight¹

320.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[620.55; 691.13]	J/mol×K	[736.70; 954.18]
Cp,gas	620.55	J/mol×K	736.70	Joback Calculated Property
Cp,gas	634.88	J/mol×K	772.95	Joback Calculated Property
Cp,gas	648.09	J/mol×K	809.19	Joback Calculated Property
Cp,gas	660.24	J/mol×K	845.44	Joback Calculated Property
Cp,gas	671.42	J/mol×K	881.69	Joback Calculated Property
Cp,gas	681.69	J/mol×K	917.94	Joback Calculated Property
Cp,gas	691.13	J/mol×K	954.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 3,5-dimethylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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