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

InChI

InChI=1S/C14H8ClF4NO/c15-10-2-1-3-12(7-10)20-13(21)8-4-9(14(17,18)19)6-11(16)5-8/h1-7H,(H,20,21)

InChI Key

FLHXUYJCSRUYPA-UHFFFAOYSA-N

Formula

C14H8ClF4NO

SMILES

O=C(Nc1cccc(Cl)c1)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

317.67

• 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	0.6554		Relay (1.0) Calculated Property
ΔfG°	-564.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-840.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.73	kJ/mol	Joback Calculated Property
ΔvapH°	87.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	4.750		Crippen Calculated Property
McVol	191.470	ml/mol	McGowan Calculated Property
Pc	2340.56	kPa	Joback Calculated Property
Inp	[2097.00; 2097.00]
Inp	2097.00		NIST
Inp	2097.00		NIST
Tboil	602.20	K	Relay (1.0) Calculated Property
Tc	886.00	K	Relay (1.0) Calculated Property
Tfus	391.03	K	Relay (1.0) Calculated Property
Vc	0.681	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.14; 549.69]	J/mol×K	[723.34; 943.81]
Cp,gas	496.14	J/mol×K	723.34	Joback Calculated Property
Cp,gas	507.18	J/mol×K	760.08	Joback Calculated Property
Cp,gas	517.28	J/mol×K	796.83	Joback Calculated Property
Cp,gas	526.51	J/mol×K	833.57	Joback Calculated Property
Cp,gas	534.94	J/mol×K	870.32	Joback Calculated Property
Cp,gas	542.65	J/mol×K	907.06	Joback Calculated Property
Cp,gas	549.69	J/mol×K	943.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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