Chemical Properties of 4-Chlorobenzamide, N-(4-chlorobenzoyl)-N-octyl-

InChI

InChI=1S/C22H25Cl2NO2/c1-2-3-4-5-6-7-16-25(21(26)17-8-12-19(23)13-9-17)22(27)18-10-14-20(24)15-11-18/h8-15H,2-7,16H2,1H3

InChI Key

AQKYKYPROINPFQ-UHFFFAOYSA-N

Formula

C22H25Cl2NO2

SMILES

CCCCCCCCN(C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1

Molecular Weight¹

406.35

• 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	0.9654		Relay (1.0) Calculated Property
ΔfG°	169.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-359.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.65	kJ/mol	Joback Calculated Property
ΔvapH°	114.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-7.06		Relay (1.0) Calculated Property
logPoct/wat	6.637		Crippen Calculated Property
McVol	310.920	ml/mol	McGowan Calculated Property
Pc	1426.15	kPa	Joback Calculated Property
Inp	[2906.00; 2906.00]
Inp	2906.00		NIST
Inp	2906.00		NIST
Tboil	700.34	K	Relay (1.0) Calculated Property
Tc	963.33	K	Relay (1.0) Calculated Property
Tfus	335.83	K	Relay (1.0) Calculated Property
Vc	1.121	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[930.38; 996.34]	J/mol×K	[961.12; 1191.09]
Cp,gas	930.38	J/mol×K	961.12	Joback Calculated Property
Cp,gas	943.62	J/mol×K	999.45	Joback Calculated Property
Cp,gas	955.84	J/mol×K	1037.78	Joback Calculated Property
Cp,gas	967.12	J/mol×K	1076.10	Joback Calculated Property
Cp,gas	977.56	J/mol×K	1114.43	Joback Calculated Property
Cp,gas	987.27	J/mol×K	1152.76	Joback Calculated Property
Cp,gas	996.34	J/mol×K	1191.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzamide, N-(4-chlorobenzoyl)-N-octyl-.

Sources

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

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