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

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

• 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).
• 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
ΔfG°	108.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.50	kJ/mol	Joback Calculated Property
ΔfusH°	28.91	kJ/mol	Joback Calculated Property
ΔvapH°	62.64	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.474		Crippen Calculated Property
McVol	158.810	ml/mol	McGowan Calculated Property
Pc	3718.02	kPa	Joback Calculated Property
Tboil	642.04	K	Joback Calculated Property
Tc	868.44	K	Joback Calculated Property
Tfus	[368.88; 369.00]	K
Tfus	368.88 ± 0.20	K	NIST
Tfus	369.00 ± 0.20	K	NIST
Vc	0.571	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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