Chemical Properties of trans-3-(Trifluoromethyl)cinnamic acid, pentyl ester

InChI

InChI=1S/C15H17F3O2/c1-2-3-4-10-20-14(19)9-8-12-6-5-7-13(11-12)15(16,17)18/h5-9,11H,2-4,10H2,1H3/b9-8+

InChI Key

AKOQLJKRQZZNGF-CMDGGOBGSA-N

Formula

C15H17F3O2

SMILES

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

Molecular Weight¹

286.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[294.45; 671.83]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.53260e+01
Coefficient B			1.41682e+00
Coefficient C			-9.66560e-04
Coefficient D			2.46900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.45	J/mol×K	273.00	Calculated Property
Cp,gas	365.87	J/mol×K	353.78	Calculated Property
Cp,gas	428.10	J/mol×K	434.56	Calculated Property
Cp,gas	481.91	J/mol×K	515.33	Calculated Property
Cp,gas	528.09	J/mol×K	596.11	Calculated Property
Cp,gas	567.42	J/mol×K	676.89	Calculated Property
Cp,gas	600.68	J/mol×K	757.67	Calculated Property
Cp,gas	628.64	J/mol×K	838.44	Calculated Property
Cp,gas	652.10	J/mol×K	919.22	Calculated Property
Cp,gas	671.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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