Chemical Properties of Urea, N'-[4-(4-methoxyphenoxy)phenyl]-N,N-dimethyl- (CAS 14214-32-5)

InChI

InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)

InChI Key

AMVYOVYGIJXTQB-UHFFFAOYSA-N

Formula

C16H18N2O3

SMILES

COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1

Molecular Weight¹

286.33

CAS

14214-32-5

Other Names

• C 3470
• Difenoxuron
• Difenoxurone
• Lironion
• N'-(4-(4-Methoxyphenoxy)phenyl)-N,N-dimethylurea
• Pinoran
• Urea, 1,1-dimethyl-3-(p-(p-methoxyphenoxy)phenyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	-279.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.59	kJ/mol	Joback Calculated Property
ΔvapH°	110.96	kJ/mol	Relay (1.0) Calculated Property
IE	7.18	eV	Relay (1.0) Calculated Property
log10WS	[-4.16; -4.16]
log10WS	-4.16		Aq. Solubility Prediction
log10WS	-4.16		Estimated Solubility
logPoct/wat	3.581		Crippen Calculated Property
McVol	222.050	ml/mol	McGowan Calculated Property
Tboil	664.44	K	Relay (1.0) Calculated Property
Tfus	419.87	K	Relay (1.0) Calculated Property

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
Cp,gas	[637.05; 706.43]	J/mol×K	[790.32; 1017.08]
Cp,gas	637.05	J/mol×K	790.32	Joback Calculated Property
Cp,gas	651.52	J/mol×K	828.11	Joback Calculated Property
Cp,gas	664.77	J/mol×K	865.91	Joback Calculated Property
Cp,gas	676.86	J/mol×K	903.70	Joback Calculated Property
Cp,gas	687.81	J/mol×K	941.50	Joback Calculated Property
Cp,gas	697.65	J/mol×K	979.29	Joback Calculated Property
Cp,gas	706.43	J/mol×K	1017.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Urea, N'-[4-(4-methoxyphenoxy)phenyl]-N,N-dimethyl-.

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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.
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