Chemical Properties of 3-Fluoro-5-trifluoromethylbenzamide, N-(4-fluorophenyl)-

InChI

InChI=1S/C14H8F5NO/c15-10-1-3-12(4-2-10)20-13(21)8-5-9(14(17,18)19)7-11(16)6-8/h1-7H,(H,20,21)

InChI Key

VGIOZBJKSGYJKY-UHFFFAOYSA-N

Formula

C14H8F5NO

SMILES

O=C(Nc1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

301.21

• 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

Property	Value	Unit	Source
ω	0.6538		Relay (1.0) Calculated Property
ΔfG°	-747.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-988.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.61	kJ/mol	Joback Calculated Property
ΔvapH°	83.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	4.236		Crippen Calculated Property
McVol	181.000	ml/mol	McGowan Calculated Property
Pc	2322.54	kPa	Joback Calculated Property
Inp	[1890.00; 1890.00]
Inp	1890.00		NIST
Inp	1890.00		NIST
Tboil	589.41	K	Relay (1.0) Calculated Property
Tc	857.83	K	Relay (1.0) Calculated Property
Tfus	399.21	K	Relay (1.0) Calculated Property
Vc	0.657	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.02; 538.36]	J/mol×K	[685.18; 893.70]
Cp,gas	481.02	J/mol×K	685.18	Joback Calculated Property
Cp,gas	492.67	J/mol×K	719.93	Joback Calculated Property
Cp,gas	503.41	J/mol×K	754.69	Joback Calculated Property
Cp,gas	513.29	J/mol×K	789.44	Joback Calculated Property
Cp,gas	522.37	J/mol×K	824.20	Joback Calculated Property
Cp,gas	530.70	J/mol×K	858.95	Joback Calculated Property
Cp,gas	538.36	J/mol×K	893.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzamide, N-(4-fluorophenyl)-.

Sources

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

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