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

InChI

InChI=1S/C14H7ClF5NO/c15-11-6-10(1-2-12(11)17)21-13(22)7-3-8(14(18,19)20)5-9(16)4-7/h1-6H,(H,21,22)

InChI Key

RCKUZZNJMLDXGM-UHFFFAOYSA-N

Formula

C14H7ClF5NO

SMILES

O=C(Nc1ccc(F)c(Cl)c1)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

335.66

• 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).
• 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
ΔfG°	-769.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-969.26	kJ/mol	Joback Calculated Property
ΔfusH°	37.42	kJ/mol	Joback Calculated Property
ΔvapH°	66.14	kJ/mol	Joback Calculated Property
log10WS	-5.90		Crippen Calculated Property
logPoct/wat	4.889		Crippen Calculated Property
McVol	193.240	ml/mol	McGowan Calculated Property
Pc	2210.37	kPa	Joback Calculated Property
Inp	[2111.00; 2111.00]
Inp	2111.00		NIST
Inp	2111.00		NIST
Tboil	727.59	K	Joback Calculated Property
Tc	940.24	K	Joback Calculated Property
Tfus	488.34	K	Joback Calculated Property
Vc	0.772	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.53; 553.30]	J/mol×K	[727.59; 940.24]
Cp,gas	502.53	J/mol×K	727.59	Joback Calculated Property
Cp,gas	512.93	J/mol×K	763.03	Joback Calculated Property
Cp,gas	522.47	J/mol×K	798.47	Joback Calculated Property
Cp,gas	531.23	J/mol×K	833.92	Joback Calculated Property
Cp,gas	539.24	J/mol×K	869.36	Joback Calculated Property
Cp,gas	546.58	J/mol×K	904.80	Joback Calculated Property
Cp,gas	553.30	J/mol×K	940.24	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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