Chemical Properties of Monolinuron (CAS 1746-81-2)

InChI

InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChI Key

LKJPSUCKSLORMF-UHFFFAOYSA-N

Formula

C9H11ClN2O2

SMILES

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

Molecular Weight¹

214.65

CAS

1746-81-2

Other Names

• 1-Methoxy-1-methyl-3-(4-chlorophenyl)urea
• 3-(4-Chlorophenyl)-1-methoxy-1-methylurea
• 3-(4-Chlorphenyl)-1-methoxy-1-methylharnstoff
• Afesin
• Aresin
• Arezin
• Arezine
• Arresin
• HOE 2747
• Monorotox
• N'-(4-Chlorophenyl)-N-methoxy-N-methylurea
• N-(4-Chlorophenyl)-N'-methoxy-N-methylurea
• Premalin
• Urea, 3-(p-chlorophenyl)-1-methoxy-1-methyl-
• Urea, N'-(4-chlorophenyl)-N-methoxy-N-methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-193.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.82	kJ/mol	Joback Calculated Property
ΔvapH°	85.67	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	[-2.57; -2.57]
log10WS	-2.57		Aq. Solubility Prediction
log10WS	-2.57		Estimated Solubility
logPoct/wat	2.365		Crippen Calculated Property
McVol	153.550	ml/mol	McGowan Calculated Property
Tfus	[353.91; 354.65]	K
Tfus	354.65	K	Aq. Solubility Prediction
Tfus	353.91 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[361.17; 422.50]	J/mol×K	[613.31; 831.34]
Cp,gas	361.17	J/mol×K	613.31	Joback Calculated Property
Cp,gas	373.34	J/mol×K	649.65	Joback Calculated Property
Cp,gas	384.69	J/mol×K	685.99	Joback Calculated Property
Cp,gas	395.26	J/mol×K	722.33	Joback Calculated Property
Cp,gas	405.06	J/mol×K	758.67	Joback Calculated Property
Cp,gas	414.14	J/mol×K	795.01	Joback Calculated Property
Cp,gas	422.50	J/mol×K	831.34	Joback Calculated Property
ΔfusH	22.54	kJ/mol	353.40	NIST

Similar Compounds

Find more compounds similar to Monolinuron.

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

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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