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

InChI

InChI=1S/C17H21F3O2/c1-2-3-4-5-6-12-22-16(21)11-10-14-8-7-9-15(13-14)17(18,19)20/h7-11,13H,2-6,12H2,1H3/b11-10+

InChI Key

CZOIQZJKDFRADG-ZHACJKMWSA-N

Formula

C17H21F3O2

SMILES

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

Molecular Weight¹

314.34

• 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	[336.88; 775.02]	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			-2.71440e+01
Coefficient B			1.60682e+00
Coefficient C			-1.07536e-03
Coefficient D			2.70700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	336.88	J/mol×K	273.00	Calculated Property
Cp,gas	418.71	J/mol×K	353.78	Calculated Property
Cp,gas	490.25	J/mol×K	434.56	Calculated Property
Cp,gas	552.37	J/mol×K	515.33	Calculated Property
Cp,gas	605.91	J/mol×K	596.11	Calculated Property
Cp,gas	651.74	J/mol×K	676.89	Calculated Property
Cp,gas	690.71	J/mol×K	757.67	Calculated Property
Cp,gas	723.67	J/mol×K	838.44	Calculated Property
Cp,gas	751.49	J/mol×K	919.22	Calculated Property
Cp,gas	775.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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