Chemical Properties of trans-3-Trifluoromethylcinnamic acid, 4-cyanophenyl ester

InChI

InChI=1S/C17H10F3NO2/c18-17(19,20)14-3-1-2-12(10-14)6-9-16(22)23-15-7-4-13(11-21)5-8-15/h1-10H/b9-6+

InChI Key

HNVHKGKHGLQQMO-RMKNXTFCSA-N

Formula

C17H10F3NO2

SMILES

N#Cc1ccc(OC(=O)C=Cc2cccc(C(F)(F)F)c2)cc1

Molecular Weight¹

317.26

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[283.55; 629.93]	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			-2.97500e+01
Coefficient B			1.40320e+00
Coefficient C			-1.00852e-03
Coefficient D			2.65000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.55	J/mol×K	273.00	Calculated Property
Cp,gas	352.18	J/mol×K	353.78	Calculated Property
Cp,gas	411.32	J/mol×K	434.56	Calculated Property
Cp,gas	461.80	J/mol×K	515.33	Calculated Property
Cp,gas	504.47	J/mol×K	596.11	Calculated Property
Cp,gas	540.16	J/mol×K	676.89	Calculated Property
Cp,gas	569.72	J/mol×K	757.67	Calculated Property
Cp,gas	593.97	J/mol×K	838.44	Calculated Property
Cp,gas	613.76	J/mol×K	919.22	Calculated Property
Cp,gas	629.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 4-cyanophenyl 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

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.
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