Chemical Properties of 3-Trifluoromethylcinnamic acid, 5-fluoro-2-nitrophenyl ester

InChI

InChI=1S/C16H9F4NO4/c17-12-5-6-13(21(23)24)14(9-12)25-15(22)7-4-10-2-1-3-11(8-10)16(18,19)20/h1-9H/b7-4+

InChI Key

UDVLXOSDJLKVOS-QPJJXVBHSA-N

Formula

C16H9F4NO4

SMILES

O=C(C=Cc1cccc(C(F)(F)F)c1)Oc1cc(F)ccc1[N+](=O)[O-]

Molecular Weight¹

355.24

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[619.57; 668.13]	J/mol×K	[859.92; 1095.37]
Cp,gas	619.57	J/mol×K	859.92	Joback Calculated Property
Cp,gas	629.63	J/mol×K	899.16	Joback Calculated Property
Cp,gas	638.78	J/mol×K	938.40	Joback Calculated Property
Cp,gas	647.11	J/mol×K	977.64	Joback Calculated Property
Cp,gas	654.72	J/mol×K	1016.89	Joback Calculated Property
Cp,gas	661.70	J/mol×K	1056.13	Joback Calculated Property
Cp,gas	668.13	J/mol×K	1095.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylcinnamic acid, 5-fluoro-2-nitrophenyl ester.

Sources

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

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