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

Monolinuron

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-
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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]   Show Hide
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 Show Hide
Tfus 354.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
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
ΔfusH 22.54 kJ/mol 353.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [203.13; 452.79] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A8.95000e+00
Coefficient B8.36140e-01
Coefficient C-4.81860e-04
Coefficient D8.95600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 203.13 J/mol×K 273.00 Calculated Property
Cp,gas 248.41 J/mol×K 353.78 Calculated Property
Cp,gas 288.65 J/mol×K 434.56 Calculated Property
Cp,gas 324.13 J/mol×K 515.33 Calculated Property
Cp,gas 355.13 J/mol×K 596.11 Calculated Property
Cp,gas 381.92 J/mol×K 676.89 Calculated Property
Cp,gas 404.80 J/mol×K 757.67 Calculated Property
Cp,gas 424.05 J/mol×K 838.44 Calculated Property
Cp,gas 439.95 J/mol×K 919.22 Calculated Property
Cp,gas 452.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

Linuron. Metobromuron. Chlorbromuron. Urea, N'-(4-chlorophenyl)-N,N-dimethyl-. Diuron. Urea, N'-(3-chlorophenyl)-N,N-dimethyl-. Urea, N-(2-chlorophenyl)-N'-methyl-. Urea, (4-chlorophenyl)-. Metoxuron. 3-(2,3-Dichlorophenyl)-1,1-dimethylurea. Urea, 1-[p-(dimethylaminophenyl)]-3-methyl-. Urea), 1,1'-p-phenylenebis-(3-methyl-. Urea, N-methyl-N'-phenyl-. Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)-. Urea, N,N-dimethyl-N'-phenyl-.

Find more compounds similar to Monolinuron.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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