Chemical Properties of 1-Benzyl-3-(3-methoxybenzyl)urea (CAS 1007825-60-6)

InChI

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

InChI Key

ZSKPRGWARSZXBG-UHFFFAOYSA-N

Formula

C16H18N2O2

SMILES

COc1cccc(CNC(=O)NCc2ccccc2)c1

Molecular Weight¹

270.33

CAS

1007825-60-6

• 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	0.7417		Relay (1.0) Calculated Property
ΔfG°	243.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-143.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.87	kJ/mol	Joback Calculated Property
ΔvapH°	118.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-3.60		Relay (1.0) 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	[2630.00; 2630.00]
Inp	2630.00		NIST
Inp	2630.00		NIST
Tboil	644.99	K	Relay (1.0) Calculated Property
Tc	943.05	K	Relay (1.0) Calculated Property
Tfus	361.08	K	Relay (1.0) Calculated Property
Vc	0.772	m3/kmol	Relay (1.0) 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-(3-methoxybenzyl)urea.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.