Chemical Properties of Benzamide, 3-chloro-2-fluoro-N-(3-chloro-2-fluorobenzoyl)-N-(3-methylbutyl)-

InChI

InChI=1S/C19H17Cl2F2NO2/c1-11(2)9-10-24(18(25)12-5-3-7-14(20)16(12)22)19(26)13-6-4-8-15(21)17(13)23/h3-8,11H,9-10H2,1-2H3

InChI Key

WRZQDMLTQFRPLN-UHFFFAOYSA-N

Formula

C19H17Cl2F2NO2

SMILES

CC(C)CCN(C(=O)c1cccc(Cl)c1F)C(=O)c1cccc(Cl)c1F

Molecular Weight¹

400.25

• 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	0.8182		Relay (1.0) Calculated Property
ΔfG°	-267.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-613.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.74	kJ/mol	Joback Calculated Property
ΔvapH°	101.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-6.63		Relay (1.0) Calculated Property
logPoct/wat	5.600		Crippen Calculated Property
McVol	272.190	ml/mol	McGowan Calculated Property
Pc	1636.45	kPa	Joback Calculated Property
Inp	[2494.00; 2494.00]
Inp	2494.00		NIST
Inp	2494.00		NIST
Tboil	662.13	K	Relay (1.0) Calculated Property
Tc	940.22	K	Relay (1.0) Calculated Property
Tfus	359.69	K	Relay (1.0) Calculated Property
Vc	0.966	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.97; 825.11]	J/mol×K	[900.54; 1125.44]
Cp,gas	768.97	J/mol×K	900.54	Joback Calculated Property
Cp,gas	780.58	J/mol×K	938.02	Joback Calculated Property
Cp,gas	791.20	J/mol×K	975.51	Joback Calculated Property
Cp,gas	800.89	J/mol×K	1012.99	Joback Calculated Property
Cp,gas	809.73	J/mol×K	1050.48	Joback Calculated Property
Cp,gas	817.78	J/mol×K	1087.96	Joback Calculated Property
Cp,gas	825.11	J/mol×K	1125.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-(3-chloro-2-fluorobenzoyl)-N-(3-methylbutyl)-.

Sources

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

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