Chemical Properties of Urea, N'-[4-(4-chlorophenoxy)phenyl]-N,N-dimethyl-

InChI

InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)

InChI Key

IVUXTESCPZUGJC-UHFFFAOYSA-N

Formula

C15H15ClN2O2

SMILES

CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1

Molecular Weight¹

290.75

Other Names

• 1-(4-(4-Chloro-phenoxy)phenyl)-3,3-d'methyluree
• 3-(4-(4-Chloor-fenoxy)-fenyl)-1,1-dimethylureum
• 3-(4-(4-Chlor-phenoxy)-phenyl)-1,1-dimethylharnstoff
• 3-(4-(4-Chloro-fenossil)fenil)-1,1-dimetil-urea
• 3-(p-(p-Chlorophenoxy)phenyl)-1,1-dimethylurea
• 3-[4-(4-Chlorophenoxy)phenyl]-1,1-dimethylurea
• C 1983
• CIBA 1983
• Chloroxifenidim
• Chloroxyfenidim
• Chlorphencarb
• Gesamoos
• N'-4-(p-Chlorophenoxy)phenyl-N,N-dimethylurea
• N'-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylurea
• Norex
• Tenoran
• Urea, 3-[p-(p-chlorophenoxy)phenyl]-1,1-dimethyl-
• chloroxuron

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.01	kJ/mol	Joback Calculated Property
IE	7.36	eV	Relay (1.0) Calculated Property
log10WS	[-4.89; -4.89]
log10WS	-4.89		Aq. Solubility Prediction
log10WS	-4.89		Estimated Solubility
logPoct/wat	4.226		Crippen Calculated Property
McVol	214.330	ml/mol	McGowan Calculated Property
Inp	[1895.00; 1928.00]
Inp	1895.00		NIST
Inp	1928.00		NIST
Inp	1895.00		NIST
Tfus	[424.15; 425.83]	K
Tfus	424.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	425.83 ± 0.20	K	NIST
Tfus	425.10 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.70; 640.77]	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			-1.61100e+01
Coefficient B			1.26774e+00
Coefficient C			-7.72420e-04
Coefficient D			1.61560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.70	J/mol×K	273.00	Calculated Property
Cp,gas	342.87	J/mol×K	353.78	Calculated Property
Cp,gas	402.19	J/mol×K	434.56	Calculated Property
Cp,gas	454.18	J/mol×K	515.33	Calculated Property
Cp,gas	499.35	J/mol×K	596.11	Calculated Property
Cp,gas	538.21	J/mol×K	676.89	Calculated Property
Cp,gas	571.27	J/mol×K	757.67	Calculated Property
Cp,gas	599.04	J/mol×K	838.44	Calculated Property
Cp,gas	622.04	J/mol×K	919.22	Calculated Property
Cp,gas	640.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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
• Octanol/Water Partition Coefficient of Selected Herbicides: Determination Using Shake-Flask Method and Reversed-Phase High-Performance Liquid Chromatography
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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