Chemical Properties of Benzamide, 3,4-difluoro-N-(3,4-difluorobenzoyl)-N-(hept-2-yl)-

InChI

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

InChI Key

ZBCHDYANTVERIW-UHFFFAOYSA-N

Formula

C21H21F4NO2

SMILES

CCCCCC(C)N(C(=O)c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(F)c1

Molecular Weight¹

395.39

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8716		Relay (1.0) Calculated Property
ΔfG°	-616.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-947.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.69	kJ/mol	Joback Calculated Property
ΔvapH°	98.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	5.494		Crippen Calculated Property
McVol	279.430	ml/mol	McGowan Calculated Property
Pc	1392.29	kPa	Joback Calculated Property
Inp	[2155.00; 2155.00]
Inp	2155.00		NIST
Inp	2155.00		NIST
Tboil	648.86	K	Relay (1.0) Calculated Property
Tc	889.54	K	Relay (1.0) Calculated Property
Tfus	326.17	K	Relay (1.0) Calculated Property
Vc	1.010	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[852.20; 919.49]	J/mol×K	[869.98; 1075.77]
Cp,gas	852.20	J/mol×K	869.98	Joback Calculated Property
Cp,gas	865.76	J/mol×K	904.28	Joback Calculated Property
Cp,gas	878.30	J/mol×K	938.58	Joback Calculated Property
Cp,gas	889.89	J/mol×K	972.87	Joback Calculated Property
Cp,gas	900.58	J/mol×K	1007.17	Joback Calculated Property
Cp,gas	910.43	J/mol×K	1041.47	Joback Calculated Property
Cp,gas	919.49	J/mol×K	1075.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3,4-difluoro-N-(3,4-difluorobenzoyl)-N-(hept-2-yl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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