Chemical Properties of Metobromuron (CAS 3060-89-7)

InChI

InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChI Key

WLFDQEVORAMCIM-UHFFFAOYSA-N

Formula

C9H11BrN2O

SMILES

CON(C)C(=O)Nc1ccc(Br)cc1

Molecular Weight¹

243.10

CAS

3060-89-7

Other Names

• 3-(4-Bromophenyl)-1-methoxy-1-methylurea
• 3-(4-Bromphenyl)-1-methoxyharnstoff
• 3-(p-Bromophenyl)-1-Methoxy-1-methylurea
• 3-(p-Bromophenyl)-1-methyl-1-methoxyurea
• C 3126
• CIBA-3126
• Metbromuron
• Monobromuron
• N'-(4-Bromophenyl)-N-methoxy-N-methylurea
• N-(p-Bromophenyl)-N'-methyl-N'-methoxyurea
• Patoran
• Patoran FL
• Pattonex
• Urea, 3-(p-bromophenyl)-1-methoxy-1-methyl-
• Urea, N'-(4-bromophenyl)-N-methoxy-N-methyl-

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.91	kJ/mol	Joback Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.474		Crippen Calculated Property
McVol	158.810	ml/mol	McGowan Calculated Property
Tfus	[368.88; 369.00]	K
Tfus	368.88 ± 0.20	K	NIST
Tfus	369.00 ± 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.94; 430.88]	J/mol×K	[642.04; 868.44]
Cp,gas	371.94	J/mol×K	642.04	Joback Calculated Property
Cp,gas	383.77	J/mol×K	679.77	Joback Calculated Property
Cp,gas	394.74	J/mol×K	717.51	Joback Calculated Property
Cp,gas	404.91	J/mol×K	755.24	Joback Calculated Property
Cp,gas	414.29	J/mol×K	792.98	Joback Calculated Property
Cp,gas	422.94	J/mol×K	830.71	Joback Calculated Property
Cp,gas	430.88	J/mol×K	868.44	Joback Calculated Property
ΔfusH	[24.44; 24.44]	kJ/mol	[368.30; 368.30]
ΔfusH	24.44	kJ/mol	368.30	NIST
ΔfusH	24.44	kJ/mol	368.30	NIST

Similar Compounds

Find more compounds similar to Metobromuron.

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
• Crippen Method
• Joback 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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