Chemical Properties of Urea, N'-(4-chlorophenyl)-N,N-dimethyl- (CAS 150-68-5)

InChI

InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChI Key

BMLIZLVNXIYGCK-UHFFFAOYSA-N

Formula

C9H11ClN2O

SMILES

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

Molecular Weight¹

198.65

CAS

150-68-5

Other Names

• 1,1-Dimethyl-3-(p-chlorophenyl)thiourea
• 1,1-Dimethyl-3-(p-chlorophenyl)urea
• 1-(4-Chloro phenyl)-3,3-dimethyluree
• 1-(4-Chlorophenyl)-3,3-dimethylurea
• 1-(p-Chlorophenyl)-3,3-dimethylurea
• 3-(4-Chloor-fenyl)-1,1-dimethylureum
• 3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff
• 3-(4-Chlorophenyl)-1,1-dimethylurea
• 3-(4-cloro-fenil)-1,1-dimetil-urea
• 3-(p-Chlorophenyl)-1,1-dimethylurea
• 3-Methyl-4-oxo-2-phenyl-4h-1-benzopyran-8-carboxylic acid, 4-morpholinethyl ester, hydrochloride
• CMU
• Chlorfenidim
• Herbicides, monuron
• Karmex Monuron Herbicide
• Karmex W. monuron herbicide
• Lirobetarex
• Monurex
• Monuron
• Monurox
• Monuruon
• Monuuron
• N'-(4-Chlorophenyl)-N,N-dimethylurea
• N,N-Dimethyl-N'-(4-chlorophenyl)urea
• N-(4-Chlorophenyl)-N',N'-dimethylurea
• N-(p-Chlorophenyl)-N',N'-dimethylurea
• N-Dimethyl-N'-(4-chlorophenyl)urea
• NCI-C02846
• NSC 8949
• Telvar
• Telvar Monuron Weedkiller
• Telvar W. monuron weedkiller
• USAF P-8
• USAF XR-41
• Urea, 3-(p-chlorophenyl)-1,1-dimethyl-

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• P_vap : Vapor pressure (kPa).
• 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	-4861.80 ± 4.20	kJ/mol	NIST
ΔfH°gas	-143.24	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-272.00 ± 4.20	kJ/mol	NIST
ΔfusH°	26.63	kJ/mol	Joback Calculated Property
ΔsubH°	115.00	kJ/mol	NIST
ΔvapH°	83.32	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	[-2.91; -2.89]
log10WS	-2.91		Aq. Solubility Prediction
log10WS	-2.89		Estimated Solubility
logPoct/wat	2.433		Crippen Calculated Property
McVol	147.680	ml/mol	McGowan Calculated Property
Tboil	565.26	K	Relay (1.0) Calculated Property
Tfus	[441.50; 447.88]	K
Tfus	445.65	K	Aq. Solubility Prediction
Tfus	447.88 ± 0.20	K	NIST
Tfus	441.50 ± 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
Cp,gas	[337.65; 400.03]	J/mol×K	[590.89; 811.66]
Cp,gas	337.65	J/mol×K	590.89	Joback Calculated Property
Cp,gas	350.07	J/mol×K	627.68	Joback Calculated Property
Cp,gas	361.63	J/mol×K	664.48	Joback Calculated Property
Cp,gas	372.36	J/mol×K	701.27	Joback Calculated Property
Cp,gas	382.31	J/mol×K	738.07	Joback Calculated Property
Cp,gas	391.52	J/mol×K	774.86	Joback Calculated Property
Cp,gas	400.03	J/mol×K	811.66	Joback Calculated Property
ΔfusH	[29.30; 29.46]	kJ/mol	[447.60; 447.60]
ΔfusH	29.30	kJ/mol	447.60	NIST
ΔfusH	29.46	kJ/mol	447.60	NIST
ΔfusH	29.46	kJ/mol	447.60	NIST
ΔsubH	114.60 ± 4.90	kJ/mol	341.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[486.66; 591.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.86214e+01
Coefficient B			-1.37888e+04
Temperature range, min.			486.66
Temperature range, max.			591.54
Pvap	1.33	kPa	486.66	Calculated Property
Pvap	2.59	kPa	498.31	Calculated Property
Pvap	4.87	kPa	509.97	Calculated Property
Pvap	8.91	kPa	521.62	Calculated Property
Pvap	15.87	kPa	533.27	Calculated Property
Pvap	27.59	kPa	544.93	Calculated Property
Pvap	46.86	kPa	556.58	Calculated Property
Pvap	77.89	kPa	568.23	Calculated Property
Pvap	126.85	kPa	579.89	Calculated Property
Pvap	202.63	kPa	591.54	Calculated Property

Similar Compounds

Find more compounds similar to Urea, N'-(4-chlorophenyl)-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
• The Yaws Handbook of Vapor Pressure

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.