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

InChI

InChI=1S/C14H10F3NO/c1-8-2-7-11(16)12(13(8)17)14(19)18-10-5-3-9(15)4-6-10/h2-7H,1H3,(H,18,19)

InChI Key

OPKAAOMTPXRTOR-UHFFFAOYSA-N

Formula

C14H10F3NO

SMILES

Cc1ccc(F)c(C(=O)Nc2ccc(F)cc2)c1F

Molecular Weight¹

265.23

• 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°	-370.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-552.55	kJ/mol	Joback Calculated Property
ΔfusH°	34.48	kJ/mol	Joback Calculated Property
ΔvapH°	64.69	kJ/mol	Joback Calculated Property
log10WS	-4.92		Crippen Calculated Property
logPoct/wat	3.665		Crippen Calculated Property
McVol	177.460	ml/mol	McGowan Calculated Property
Pc	2453.17	kPa	Joback Calculated Property
Inp	[2069.00; 2069.00]
Inp	2069.00		NIST
Inp	2069.00		NIST
Tboil	694.85	K	Joback Calculated Property
Tc	911.04	K	Joback Calculated Property
Tfus	454.82	K	Joback Calculated Property
Vc	0.699	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.73; 522.03]	J/mol×K	[694.85; 911.04]
Cp,gas	460.73	J/mol×K	694.85	Joback Calculated Property
Cp,gas	473.02	J/mol×K	730.88	Joback Calculated Property
Cp,gas	484.43	J/mol×K	766.91	Joback Calculated Property
Cp,gas	495.00	J/mol×K	802.94	Joback Calculated Property
Cp,gas	504.77	J/mol×K	838.97	Joback Calculated Property
Cp,gas	513.76	J/mol×K	875.00	Joback Calculated Property
Cp,gas	522.03	J/mol×K	911.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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