Chemical Properties of Benzamide, N-butyl-2-(methylamino)- (CAS 53693-72-4)

InChI

InChI=1S/C12H18N2O/c1-3-4-9-14-12(15)10-7-5-6-8-11(10)13-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)

InChI Key

ZPUCFROBIBAQQV-UHFFFAOYSA-N

Formula

C12H18N2O

SMILES

CCCCN=C(O)c1ccccc1NC

Molecular Weight¹

206.28

CAS

53693-72-4

Other Names

• N-Butyl-2-(methylamino)benzamide

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.8231		Relay (1.0) Calculated Property
ΔfG°	131.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-175.81	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.60	kJ/mol	Relay (1.0) Calculated Property
IE	7.54	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	177.710	ml/mol	McGowan Calculated Property
Pc	2381.86	kPa	Joback Calculated Property
Inp	[1830.10; 1830.10]
Inp	1830.10		NIST
Inp	1830.10		NIST
Tboil	598.86	K	Relay (1.0) Calculated Property
Tc	831.06	K	Relay (1.0) Calculated Property
Tfus	385.82	K	Relay (1.0) Calculated Property
Vc	0.618	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-butyl-2-(methylamino)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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