Chemical Properties of 2,6-Difluoro-3-methylbenzamide, N-(4-methoxyphenyl)-

InChI

InChI=1S/C15H13F2NO2/c1-9-3-8-12(16)13(14(9)17)15(19)18-10-4-6-11(20-2)7-5-10/h3-8H,1-2H3,(H,18,19)

InChI Key

QBISXJFNWXVIRJ-UHFFFAOYSA-N

Formula

C15H13F2NO2

SMILES

COc1ccc(NC(=O)c2c(F)ccc(C)c2F)cc1

Molecular Weight¹

277.27

• 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°	-272.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-509.30	kJ/mol	Joback Calculated Property
ΔfusH°	35.18	kJ/mol	Joback Calculated Property
ΔvapH°	70.14	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	3.534		Crippen Calculated Property
McVol	195.650	ml/mol	McGowan Calculated Property
Pc	2295.91	kPa	Joback Calculated Property
Inp	[2369.00; 2369.00]
Inp	2369.00		NIST
Inp	2369.00		NIST
Tboil	740.88	K	Joback Calculated Property
Tc	960.28	K	Joback Calculated Property
Tfus	487.73	K	Joback Calculated Property
Vc	0.754	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[529.95; 594.29]	J/mol×K	[740.88; 960.28]
Cp,gas	529.95	J/mol×K	740.88	Joback Calculated Property
Cp,gas	543.00	J/mol×K	777.45	Joback Calculated Property
Cp,gas	555.09	J/mol×K	814.01	Joback Calculated Property
Cp,gas	566.25	J/mol×K	850.58	Joback Calculated Property
Cp,gas	576.48	J/mol×K	887.15	Joback Calculated Property
Cp,gas	585.82	J/mol×K	923.72	Joback Calculated Property
Cp,gas	594.29	J/mol×K	960.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzamide, N-(4-methoxyphenyl)-.

Sources

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

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