Chemical Properties of Metoxuron (CAS 19937-59-8)

InChI

InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)

InChI Key

DSRNRYQBBJQVCW-UHFFFAOYSA-N

Formula

C10H13ClN2O2

SMILES

COc1ccc(NC(=O)N(C)C)cc1Cl

Molecular Weight¹

228.68

CAS

19937-59-8

Other Names

• 3-(3-Chlor-4-methoxyphenyl)-1,1-dimethylharnstoff
• 3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea
• Deftor
• Dosaflo
• Dosagran
• Dosanex
• Dosanex FL
• Dosanex MG
• FL
• Herbicide 6602
• Metoxuran
• N'-(3-Chlor-4-methoxy-phenyl)-N,N-dimethylharnstoff
• N'-(3-chloro-4-methoxyphenyl)-N,N-dimethylurea
• N,N-Dimethyl-N'-(4-methoxy-3-chlorophenyl)urea
• N-(3-Chloro-4-methoxyphenyl)-N',N'-dimethylurea
• Purivel
• SAN 6602
• SAN 6915H
• SAN 7102
• SAN 7102H
• Sulerex
• Urea, 3-(3-chloro-4-methoxyphenyl)-1,1-dimethyl-
• Urea, N'-(3-chloro-4-methoxyphenyl)-N,N-dimethyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6609		Relay (1.0) Calculated Property
ΔfG°	80.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-290.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.02	kJ/mol	Joback Calculated Property
ΔvapH°	89.32	kJ/mol	Relay (1.0) Calculated Property
IE	7.55	eV	Relay (1.0) Calculated Property
log10WS	[-2.56; -2.56]
log10WS	-2.56		Aq. Solubility Prediction
log10WS	-2.56		Estimated Solubility
logPoct/wat	2.442		Crippen Calculated Property
McVol	167.640	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Tboil	579.68	K	Relay (1.0) Calculated Property
Tc	846.72	K	Relay (1.0) Calculated Property
Tfus	[399.49; 399.82]	K
Tfus	399.82	K	Aq. Solubility Prediction
Tfus	399.49 ± 0.20	K	NIST
Vc	0.609	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[408.51; 472.78]	J/mol×K	[641.17; 856.39]
Cp,gas	408.51	J/mol×K	641.17	Joback Calculated Property
Cp,gas	421.17	J/mol×K	677.04	Joback Calculated Property
Cp,gas	433.02	J/mol×K	712.91	Joback Calculated Property
Cp,gas	444.09	J/mol×K	748.78	Joback Calculated Property
Cp,gas	454.39	J/mol×K	784.65	Joback Calculated Property
Cp,gas	463.94	J/mol×K	820.52	Joback Calculated Property
Cp,gas	472.78	J/mol×K	856.39	Joback Calculated Property
ΔfusH	27.48	kJ/mol	399.20	NIST

Similar Compounds

Find more compounds similar to Metoxuron.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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