Chemical Properties of 3-Fluoro-6-trifluoromethylbenzamide, N-(4-methoxyphenyl)-

InChI

InChI=1S/C15H11F4NO2/c1-22-11-5-3-10(4-6-11)20-14(21)12-8-9(16)2-7-13(12)15(17,18)19/h2-8H,1H3,(H,20,21)

InChI Key

JFYNNNNNCOFEHT-UHFFFAOYSA-N

Formula

C15H11F4NO2

SMILES

COc1ccc(NC(=O)c2cc(F)ccc2C(F)(F)F)cc1

Molecular Weight¹

313.25

• 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°	-649.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-898.80	kJ/mol	Joback Calculated Property
ΔfusH°	34.31	kJ/mol	Joback Calculated Property
ΔvapH°	66.55	kJ/mol	Joback Calculated Property
log10WS	-5.00		Crippen Calculated Property
logPoct/wat	4.105		Crippen Calculated Property
McVol	199.190	ml/mol	McGowan Calculated Property
Pc	2177.49	kPa	Joback Calculated Property
Inp	[2122.00; 2122.00]
Inp	2122.00		NIST
Inp	2122.00		NIST
Tboil	731.21	K	Joback Calculated Property
Tc	943.31	K	Joback Calculated Property
Tfus	478.81	K	Joback Calculated Property
Vc	0.779	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.46; 609.86]	J/mol×K	[731.21; 943.31]
Cp,gas	549.46	J/mol×K	731.21	Joback Calculated Property
Cp,gas	561.77	J/mol×K	766.56	Joback Calculated Property
Cp,gas	573.12	J/mol×K	801.91	Joback Calculated Property
Cp,gas	583.55	J/mol×K	837.26	Joback Calculated Property
Cp,gas	593.12	J/mol×K	872.61	Joback Calculated Property
Cp,gas	601.87	J/mol×K	907.96	Joback Calculated Property
Cp,gas	609.86	J/mol×K	943.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-6-trifluoromethylbenzamide, N-(4-methoxyphenyl)-.

Sources

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

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