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

InChI

InChI=1S/C21H21F4NO2/c1-4-5-6-11-26(20(27)16-14(22)9-7-12(2)18(16)24)21(28)17-15(23)10-8-13(3)19(17)25/h7-10H,4-6,11H2,1-3H3

InChI Key

MCDUGIICDYZWAP-UHFFFAOYSA-N

Formula

C21H21F4NO2

SMILES

CCCCCN(C(=O)c1c(F)ccc(C)c1F)C(=O)c1c(F)ccc(C)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°	-633.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1014.60	kJ/mol	Joback Calculated Property
ΔfusH°	54.43	kJ/mol	Joback Calculated Property
ΔvapH°	83.13	kJ/mol	Joback Calculated Property
log10WS	-7.53		Crippen Calculated Property
logPoct/wat	5.333		Crippen Calculated Property
McVol	279.430	ml/mol	McGowan Calculated Property
Pc	1353.63	kPa	Joback Calculated Property
Inp	[2398.00; 2398.00]
Inp	2398.00		NIST
Inp	2398.00		NIST
Tboil	880.38	K	Joback Calculated Property
Tc	1086.37	K	Joback Calculated Property
Tfus	589.08	K	Joback Calculated Property
Vc	1.097	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.52; 915.56]	J/mol×K	[880.38; 1086.37]
Cp,gas	849.52	J/mol×K	880.38	Joback Calculated Property
Cp,gas	862.86	J/mol×K	914.71	Joback Calculated Property
Cp,gas	875.20	J/mol×K	949.04	Joback Calculated Property
Cp,gas	886.60	J/mol×K	983.37	Joback Calculated Property
Cp,gas	897.10	J/mol×K	1017.70	Joback Calculated Property
Cp,gas	906.74	J/mol×K	1052.03	Joback Calculated Property
Cp,gas	915.56	J/mol×K	1086.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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