Chemical Properties of 1,3-Diphenethylurea

InChI

InChI=1S/C17H20N2O/c20-17(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20)

InChI Key

VMQLWVGHPWFHEI-UHFFFAOYSA-N

Formula

C17H20N2O

SMILES

O=C(NCCc1ccccc1)NCCc1ccccc1

Molecular Weight¹

268.36

• 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	0.7489		Relay (1.0) Calculated Property
ΔfG°	366.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-33.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.66	kJ/mol	Joback Calculated Property
ΔvapH°	120.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	2.771		Crippen Calculated Property
McVol	224.400	ml/mol	McGowan Calculated Property
Pc	2269.73	kPa	Joback Calculated Property
Inp	[2550.90; 2550.90]
Inp	2550.90		NIST
Inp	2550.90		NIST
Tboil	641.52	K	Relay (1.0) Calculated Property
Tc	943.56	K	Relay (1.0) Calculated Property
Tfus	365.61	K	Relay (1.0) Calculated Property
Vc	0.809	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[284.90; 722.12]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.54360e+01
Coefficient B			1.58540e+00
Coefficient C			-1.04190e-03
Coefficient D			2.54060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.90	J/mol×K	273.00	Calculated Property
Cp,gas	366.29	J/mol×K	353.78	Calculated Property
Cp,gas	437.61	J/mol×K	434.56	Calculated Property
Cp,gas	499.65	J/mol×K	515.33	Calculated Property
Cp,gas	553.22	J/mol×K	596.11	Calculated Property
Cp,gas	599.12	J/mol×K	676.89	Calculated Property
Cp,gas	638.16	J/mol×K	757.67	Calculated Property
Cp,gas	671.14	J/mol×K	838.44	Calculated Property
Cp,gas	698.86	J/mol×K	919.22	Calculated Property
Cp,gas	722.12	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diphenethylurea.

Sources

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

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