Chemical Properties of trans-3-(Trifluoromethyl)cinnamic acid, undec-10-enyl ester

InChI

InChI=1S/C21H27F3O2/c1-2-3-4-5-6-7-8-9-10-16-26-20(25)15-14-18-12-11-13-19(17-18)21(22,23)24/h2,11-15,17H,1,3-10,16H2/b15-14+

InChI Key

WGVDTYLVCIVLJL-CCEZHUSRSA-N

Formula

C21H27F3O2

SMILES

C=CCCCCCCCCCOC(=O)C=Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

368.43

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[851.25; 935.66]	J/mol×K	[765.38; 951.89]
Cp,gas	851.25	J/mol×K	765.38	Joback Calculated Property
Cp,gas	867.60	J/mol×K	796.47	Joback Calculated Property
Cp,gas	882.96	J/mol×K	827.55	Joback Calculated Property
Cp,gas	897.38	J/mol×K	858.64	Joback Calculated Property
Cp,gas	910.93	J/mol×K	889.72	Joback Calculated Property
Cp,gas	923.67	J/mol×K	920.81	Joback Calculated Property
Cp,gas	935.66	J/mol×K	951.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, undec-10-enyl 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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