Chemical Properties of Benzamide, 2,6-difluoro-3-methyl-N-(2,6-difluoro-3-methylbenzoyl)-N-(3-methylbutyl)-

InChI

InChI=1S/C21H21F4NO2/c1-11(2)9-10-26(20(27)16-14(22)7-5-12(3)18(16)24)21(28)17-15(23)8-6-13(4)19(17)25/h5-8,11H,9-10H2,1-4H3

InChI Key

JDILZXLEFSEZDS-UHFFFAOYSA-N

Formula

C21H21F4NO2

SMILES

Cc1ccc(F)c(C(=O)N(CCC(C)C)C(=O)c2c(F)ccc(C)c2F)c1F

Molecular Weight¹

395.39

• 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°	-635.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1019.88	kJ/mol	Joback Calculated Property
ΔfusH°	50.91	kJ/mol	Joback Calculated Property
ΔvapH°	82.74	kJ/mol	Joback Calculated Property
log10WS	-7.29		Crippen Calculated Property
logPoct/wat	5.189		Crippen Calculated Property
McVol	279.430	ml/mol	McGowan Calculated Property
Pc	1361.64	kPa	Joback Calculated Property
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST
Tboil	879.94	K	Joback Calculated Property
Tc	1087.46	K	Joback Calculated Property
Tfus	574.08	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.05; 916.16]	J/mol×K	[879.94; 1087.46]
Cp,gas	850.05	J/mol×K	879.94	Joback Calculated Property
Cp,gas	863.46	J/mol×K	914.53	Joback Calculated Property
Cp,gas	875.85	J/mol×K	949.11	Joback Calculated Property
Cp,gas	887.27	J/mol×K	983.70	Joback Calculated Property
Cp,gas	897.77	J/mol×K	1018.29	Joback Calculated Property
Cp,gas	907.38	J/mol×K	1052.88	Joback Calculated Property
Cp,gas	916.16	J/mol×K	1087.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,6-difluoro-3-methyl-N-(2,6-difluoro-3-methylbenzoyl)-N-(3-methylbutyl)-.

Sources

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

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