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

InChI

InChI=1S/C22H23Cl2F2NO2/c1-2-3-4-5-6-7-14-27(21(28)15-10-8-12-17(23)19(15)25)22(29)16-11-9-13-18(24)20(16)26/h8-13H,2-7,14H2,1H3

InChI Key

IVWXKSXMKWKEGE-UHFFFAOYSA-N

Formula

C22H23Cl2F2NO2

SMILES

CCCCCCCCN(C(=O)c1cccc(Cl)c1F)C(=O)c1cccc(Cl)c1F

Molecular Weight¹

442.33

• 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	0.9874		Relay (1.0) Calculated Property
ΔfG°	-239.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-669.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.04	kJ/mol	Joback Calculated Property
ΔvapH°	112.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-7.81		Relay (1.0) Calculated Property
logPoct/wat	6.915		Crippen Calculated Property
McVol	314.460	ml/mol	McGowan Calculated Property
Pc	1305.17	kPa	Joback Calculated Property
Inp	[2862.00; 2862.00]
Inp	2862.00		NIST
Inp	2862.00		NIST
Tboil	685.76	K	Relay (1.0) Calculated Property
Tc	963.40	K	Relay (1.0) Calculated Property
Tfus	347.04	K	Relay (1.0) Calculated Property
Vc	1.140	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[941.72; 1002.41]	J/mol×K	[969.62; 1193.26]
Cp,gas	941.72	J/mol×K	969.62	Joback Calculated Property
Cp,gas	954.07	J/mol×K	1006.89	Joback Calculated Property
Cp,gas	965.43	J/mol×K	1044.17	Joback Calculated Property
Cp,gas	975.86	J/mol×K	1081.44	Joback Calculated Property
Cp,gas	985.45	J/mol×K	1118.71	Joback Calculated Property
Cp,gas	994.27	J/mol×K	1155.99	Joback Calculated Property
Cp,gas	1002.41	J/mol×K	1193.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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