Chemical Properties of Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxy- (CAS 138-56-7)

InChI

InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)

InChI Key

FEZBIKUBAYAZIU-UHFFFAOYSA-N

Formula

C21H28N2O5

SMILES

COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC

Molecular Weight¹

388.46

CAS

138-56-7

Other Names

• Trimethobenzamide
• N-[p-[2-(Dimethylamino)ethoxy]benzyl]-3,4,5-trimethoxybenzamide

• 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	1.0262		Relay (1.0) Calculated Property
ΔfG°	-36.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-574.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.14	kJ/mol	Joback Calculated Property
ΔvapH°	118.59	kJ/mol	Relay (1.0) Calculated Property
IE	7.70	eV	Relay (1.0) Calculated Property
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	2.583		Crippen Calculated Property
McVol	304.240	ml/mol	McGowan Calculated Property
Pc	1450.14	kPa	Joback Calculated Property
Inp	[3287.00; 3287.00]
Inp	3287.00		NIST
Inp	3287.00		NIST
Tboil	714.37	K	Relay (1.0) Calculated Property
Tc	972.49	K	Relay (1.0) Calculated Property
Tfus	418.44	K	Relay (1.0) Calculated Property
Vc	1.107	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[977.12; 1032.04]	J/mol×K	[959.32; 1181.30]
Cp,gas	977.12	J/mol×K	959.32	Joback Calculated Property
Cp,gas	990.24	J/mol×K	996.32	Joback Calculated Property
Cp,gas	1001.78	J/mol×K	1033.31	Joback Calculated Property
Cp,gas	1011.72	J/mol×K	1070.31	Joback Calculated Property
Cp,gas	1020.08	J/mol×K	1107.31	Joback Calculated Property
Cp,gas	1026.85	J/mol×K	1144.31	Joback Calculated Property
Cp,gas	1032.04	J/mol×K	1181.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxy-.

Sources

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

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