Chemical Properties of N-Methyl-N-phenyl N'-ethyl urea (CAS 52073-04-8)

InChI

InChI=1S/C10H14N2O/c1-3-11-10(13)12(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,11,13)

InChI Key

GOVFUKDUNFENCA-UHFFFAOYSA-N

Formula

C10H14N2O

SMILES

CCNC(=O)N(C)c1ccccc1

Molecular Weight¹

178.23

CAS

52073-04-8

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5631.20 ± 5.90	kJ/mol	NIST
ΔfH°solid	-304.70 ± 5.90	kJ/mol	NIST
ΔfusH°	25.42	kJ/mol	Joback Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-1.60		Relay (1.0) Calculated Property
logPoct/wat	1.852		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Tboil	554.36	K	Relay (1.0) Calculated Property
Tfus	[310.20; 310.20]	K
Tfus	310.20 ± 0.00	K	NIST
Tfus	310.20 ± 0.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.98; 480.65]	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			-4.46490e+01
Coefficient B			1.04704e+00
Coefficient C			-6.93900e-04
Coefficient D			1.72160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.98	J/mol×K	273.00	Calculated Property
Cp,gas	246.55	J/mol×K	353.78	Calculated Property
Cp,gas	293.44	J/mol×K	434.56	Calculated Property
Cp,gas	334.21	J/mol×K	515.33	Calculated Property
Cp,gas	369.40	J/mol×K	596.11	Calculated Property
Cp,gas	399.54	J/mol×K	676.89	Calculated Property
Cp,gas	425.20	J/mol×K	757.67	Calculated Property
Cp,gas	446.91	J/mol×K	838.44	Calculated Property
Cp,gas	465.21	J/mol×K	919.22	Calculated Property
Cp,gas	480.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-Methyl-N-phenyl N'-ethyl urea.

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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