Chemical Properties of Benzamide, 4-methyl-N-(4-methylbenzoyl)-N-(3-methylbutyl)-

InChI

InChI=1S/C21H25NO2/c1-15(2)13-14-22(20(23)18-9-5-16(3)6-10-18)21(24)19-11-7-17(4)8-12-19/h5-12,15H,13-14H2,1-4H3

InChI Key

UMNWNGXHXNEDPR-UHFFFAOYSA-N

Formula

C21H25NO2

SMILES

Cc1ccc(C(=O)N(CCC(C)C)C(=O)c2ccc(C)cc2)cc1

Molecular Weight¹

323.43

• 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	0.8140		Relay (1.0) Calculated Property
ΔfG°	182.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-298.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.15	kJ/mol	Joback Calculated Property
ΔvapH°	97.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.632		Crippen Calculated Property
McVol	272.350	ml/mol	McGowan Calculated Property
Pc	1639.10	kPa	Joback Calculated Property
Inp	[2417.00; 2417.00]
Inp	2417.00		NIST
Inp	2417.00		NIST
Tboil	674.74	K	Relay (1.0) Calculated Property
Tc	923.93	K	Relay (1.0) Calculated Property
Tfus	347.09	K	Relay (1.0) Calculated Property
Vc	0.986	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[824.94; 902.24]	J/mol×K	[862.94; 1089.01]
Cp,gas	824.94	J/mol×K	862.94	Joback Calculated Property
Cp,gas	840.57	J/mol×K	900.62	Joback Calculated Property
Cp,gas	854.99	J/mol×K	938.30	Joback Calculated Property
Cp,gas	868.29	J/mol×K	975.97	Joback Calculated Property
Cp,gas	880.54	J/mol×K	1013.65	Joback Calculated Property
Cp,gas	891.82	J/mol×K	1051.33	Joback Calculated Property
Cp,gas	902.24	J/mol×K	1089.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 4-methyl-N-(4-methylbenzoyl)-N-(3-methylbutyl)-.

Sources

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

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