Chemical Properties of 1-Benzyl-3-(4-methoxybenzyl)urea (CAS 188911-54-8)

InChI

InChI=1S/C16H18N2O2/c1-20-15-9-7-14(8-10-15)12-18-16(19)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,17,18,19)

InChI Key

ZTKPCNPGXYPVPM-UHFFFAOYSA-N

Formula

C16H18N2O2

SMILES

COc1ccc(CNC(=O)NCc2ccccc2)cc1

Molecular Weight¹

270.33

CAS

188911-54-8

• 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).
• 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
ΔfG°	243.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-49.84	kJ/mol	Joback Calculated Property
ΔfusH°	37.87	kJ/mol	Joback Calculated Property
ΔvapH°	78.45	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	2.695		Crippen Calculated Property
McVol	216.180	ml/mol	McGowan Calculated Property
Pc	2414.74	kPa	Joback Calculated Property
Inp	[2680.50; 2680.50]
Inp	2680.50		NIST
Inp	2680.50		NIST
Tboil	800.45	K	Joback Calculated Property
Tc	1030.49	K	Joback Calculated Property
Tfus	512.92	K	Joback Calculated Property
Vc	0.809	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.75; 692.90]	J/mol×K	[800.45; 1030.49]
Cp,gas	624.75	J/mol×K	800.45	Joback Calculated Property
Cp,gas	638.87	J/mol×K	838.79	Joback Calculated Property
Cp,gas	651.81	J/mol×K	877.13	Joback Calculated Property
Cp,gas	663.63	J/mol×K	915.47	Joback Calculated Property
Cp,gas	674.38	J/mol×K	953.81	Joback Calculated Property
Cp,gas	684.12	J/mol×K	992.15	Joback Calculated Property
Cp,gas	692.90	J/mol×K	1030.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Benzyl-3-(4-methoxybenzyl)urea.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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