Chemical Properties of 3-Fluoro-6-trifluoromethylbenzamide, N-(2,5-dimethoxyphenyl)-

InChI

InChI=1S/C16H13F4NO3/c1-23-10-4-6-14(24-2)13(8-10)21-15(22)11-7-9(17)3-5-12(11)16(18,19)20/h3-8H,1-2H3,(H,21,22)

InChI Key

NFLZGGYUUHKNPO-UHFFFAOYSA-N

Formula

C16H13F4NO3

SMILES

COc1ccc(OC)c(NC(=O)c2cc(F)ccc2C(F)(F)F)c1

Molecular Weight¹

343.27

• 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°	-755.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1063.13	kJ/mol	Joback Calculated Property
ΔfusH°	37.70	kJ/mol	Joback Calculated Property
ΔvapH°	71.85	kJ/mol	Joback Calculated Property
log10WS	-5.12		Crippen Calculated Property
logPoct/wat	4.114		Crippen Calculated Property
McVol	219.150	ml/mol	McGowan Calculated Property
Pc	1938.95	kPa	Joback Calculated Property
Inp	[2196.00; 2196.00]
Inp	2196.00		NIST
Inp	2196.00		NIST
Tboil	781.49	K	Joback Calculated Property
Tc	990.63	K	Joback Calculated Property
Tfus	524.83	K	Joback Calculated Property
Vc	0.854	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.09; 686.32]	J/mol×K	[781.49; 990.63]
Cp,gas	627.09	J/mol×K	781.49	Joback Calculated Property
Cp,gas	639.29	J/mol×K	816.35	Joback Calculated Property
Cp,gas	650.52	J/mol×K	851.20	Joback Calculated Property
Cp,gas	660.81	J/mol×K	886.06	Joback Calculated Property
Cp,gas	670.19	J/mol×K	920.91	Joback Calculated Property
Cp,gas	678.68	J/mol×K	955.77	Joback Calculated Property
Cp,gas	686.32	J/mol×K	990.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-6-trifluoromethylbenzamide, N-(2,5-dimethoxyphenyl)-.

Sources

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

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