Chemical Properties of Urea, N,N-dimethyl-N'-phenyl-

InChI

InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)

InChI Key

XXOYNJXVWVNOOJ-UHFFFAOYSA-N

Formula

C9H12N2O

SMILES

CN(C)C(=O)Nc1ccccc1

Molecular Weight¹

164.21

Other Names

• 1,1-Dimethyl-3-phenylurea
• 1-Phenyl-3,3-dimethylurea
• 3-Phenyl-1,1-dimethylurea
• Amicure UR
• Dibar
• Dybar
• Dyhard RU 300
• Dyhard UR 300
• Falisilvan
• Fenidin
• Fenulon
• Fikure 62U
• N,N-Dimethyl-N'-phenylurea
• N-Phenyl-N',N'-dimethylurea
• Omicure 94
• PDU
• PUD
• PUD (Herbicide)
• Urea, 1,1-dimethyl-3-phenyl-
• fenuron

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	-5054.30 ± 4.20	kJ/mol	NIST
ΔfH°gas	-98.09	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-203.00 ± 4.20	kJ/mol	NIST
ΔfusH°	22.83	kJ/mol	Joback Calculated Property
ΔvapH°	77.93	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	[-1.60; -1.60]
log10WS	-1.60		Aq. Solubility Prediction
log10WS	-1.60		Estimated Solubility
logPoct/wat	1.780		Crippen Calculated Property
McVol	135.440	ml/mol	McGowan Calculated Property
Tboil	549.53	K	Relay (1.0) Calculated Property
Tfus	[406.00; 406.65]	K
Tfus	406.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	406.53	K	Aq. Solubility Prediction
Tfus	406.38 ± 0.20	K	NIST
Tfus	406.00 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[22.81; 22.81]	kJ/mol	[404.80; 404.80]
ΔfusH	22.81	kJ/mol	404.80	NIST
ΔfusH	22.81	kJ/mol	404.80	NIST
ΔfusS	59.77	J/mol×K	404.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.77; 429.06]	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			-4.37400e+01
Coefficient B			9.52040e-01
Coefficient C			-6.39500e-04
Coefficient D			1.60260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.77	J/mol×K	273.00	Calculated Property
Cp,gas	220.13	J/mol×K	353.78	Calculated Property
Cp,gas	262.36	J/mol×K	434.56	Calculated Property
Cp,gas	298.98	J/mol×K	515.33	Calculated Property
Cp,gas	330.48	J/mol×K	596.11	Calculated Property
Cp,gas	357.38	J/mol×K	676.89	Calculated Property
Cp,gas	380.18	J/mol×K	757.67	Calculated Property
Cp,gas	399.39	J/mol×K	838.44	Calculated Property
Cp,gas	415.51	J/mol×K	919.22	Calculated Property
Cp,gas	429.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Urea, N,N-dimethyl-N'-phenyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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