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

InChI

InChI=1S/C22H23F4NO2/c1-3-5-6-14(4-2)13-27(21(28)15-7-9-17(23)19(25)11-15)22(29)16-8-10-18(24)20(26)12-16/h7-12,14H,3-6,13H2,1-2H3

InChI Key

AAWBNHVHJXVJRK-UHFFFAOYSA-N

Formula

C22H23F4NO2

SMILES

CCCCC(CC)CN(C(=O)c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(F)c1

Molecular Weight¹

409.42

• 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	0.9113		Relay (1.0) Calculated Property
ΔfG°	-608.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-970.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.28	kJ/mol	Joback Calculated Property
ΔvapH°	99.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-6.99		Relay (1.0) Calculated Property
logPoct/wat	5.742		Crippen Calculated Property
McVol	293.520	ml/mol	McGowan Calculated Property
Pc	1297.66	kPa	Joback Calculated Property
Inp	[2261.00; 2261.00]
Inp	2261.00		NIST
Inp	2261.00		NIST
Tboil	666.88	K	Relay (1.0) Calculated Property
Tc	901.82	K	Relay (1.0) Calculated Property
Tfus	307.30	K	Relay (1.0) Calculated Property
Vc	1.053	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[910.37; 979.03]	J/mol×K	[892.86; 1099.92]
Cp,gas	910.37	J/mol×K	892.86	Joback Calculated Property
Cp,gas	924.21	J/mol×K	927.37	Joback Calculated Property
Cp,gas	937.00	J/mol×K	961.88	Joback Calculated Property
Cp,gas	948.82	J/mol×K	996.39	Joback Calculated Property
Cp,gas	959.73	J/mol×K	1030.90	Joback Calculated Property
Cp,gas	969.78	J/mol×K	1065.41	Joback Calculated Property
Cp,gas	979.03	J/mol×K	1099.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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