Chemical Properties of Urea, N'-(4-chlorophenyl)-N,N-dimethyl- (CAS 150-68-5)

Urea, N'-(4-chlorophenyl)-N,N-dimethyl-

InChI
InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChI Key
BMLIZLVNXIYGCK-UHFFFAOYSA-N
Formula
C9H11ClN2O
SMILES
CN(C)C(=O)Nc1ccc(Cl)cc1
Molecular Weight1
198.65
CAS
150-68-5
Other Names
  • 1,1-Dimethyl-3-(p-chlorophenyl)thiourea
  • 1,1-Dimethyl-3-(p-chlorophenyl)urea
  • 1-(4-Chloro phenyl)-3,3-dimethyluree
  • 1-(4-Chlorophenyl)-3,3-dimethylurea
  • 1-(p-Chlorophenyl)-3,3-dimethylurea
  • 3-(4-Chloor-fenyl)-1,1-dimethylureum
  • 3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff
  • 3-(4-Chlorophenyl)-1,1-dimethylurea
  • 3-(4-cloro-fenil)-1,1-dimetil-urea
  • 3-(p-Chlorophenyl)-1,1-dimethylurea
  • 3-Methyl-4-oxo-2-phenyl-4h-1-benzopyran-8-carboxylic acid, 4-morpholinethyl ester, hydrochloride
  • CMU
  • Chlorfenidim
  • Herbicides, monuron
  • Karmex Monuron Herbicide
  • Karmex W. monuron herbicide
  • Lirobetarex
  • Monurex
  • Monuron
  • Monurox
  • Monuruon
  • Monuuron
  • N'-(4-Chlorophenyl)-N,N-dimethylurea
  • N,N-Dimethyl-N'-(4-chlorophenyl)urea
  • N-(4-Chlorophenyl)-N',N'-dimethylurea
  • N-(p-Chlorophenyl)-N',N'-dimethylurea
  • N-Dimethyl-N'-(4-chlorophenyl)urea
  • NCI-C02846
  • NSC 8949
  • Telvar
  • Telvar Monuron Weedkiller
  • Telvar W. monuron weedkiller
  • USAF P-8
  • USAF XR-41
  • Urea, 3-(p-chlorophenyl)-1,1-dimethyl-
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Physical Properties

Property Value Unit Source
ΔcH°solid -4861.80 ± 4.20 kJ/mol NIST
ΔfH°gas -143.24 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid -272.00 ± 4.20 kJ/mol NIST
ΔfusH° 26.63 kJ/mol Joback Calculated Property
ΔsubH° 115.00 kJ/mol NIST
ΔvapH° 84.18 kJ/mol Relay (1.0) Calculated Property
IE 7.84 eV Relay (1.0) Calculated Property
log10WS [-2.91; -2.89]   Show Hide
log10WS -2.91 Aq. Solubility Prediction
log10WS -2.89 Estimated Solubility
logPoct/wat 2.433 Crippen Calculated Property
McVol 147.680 ml/mol McGowan Calculated Property
Tboil 565.26 K Relay (1.0) Calculated Property
Tfus [441.50; 447.88] K Show Hide
Tfus 446.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 445.65 K Aq. Solubility Prediction
Tfus 447.88 ± 0.20 K NIST
Tfus 441.50 ± 0.20 K NIST

Cheméo can also estimate 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 [29.30; 29.46] kJ/mol [447.60; 447.60] Show Hide
ΔfusH 29.30 kJ/mol 447.60 NIST
ΔfusH 29.46 kJ/mol 447.60 NIST
ΔfusH 29.46 kJ/mol 447.60 NIST
ΔsubH 114.60 ± 4.90 kJ/mol 341.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [187.72; 434.29] 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 A-1.65500e+01
Coefficient B8.99340e-01
Coefficient C-5.92860e-04
Coefficient D1.44360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 187.72 J/mol×K 273.00 Calculated Property
Cp,gas 233.81 J/mol×K 353.78 Calculated Property
Cp,gas 274.15 J/mol×K 434.56 Calculated Property
Cp,gas 309.22 J/mol×K 515.33 Calculated Property
Cp,gas 339.46 J/mol×K 596.11 Calculated Property
Cp,gas 365.34 J/mol×K 676.89 Calculated Property
Cp,gas 387.30 J/mol×K 757.67 Calculated Property
Cp,gas 405.81 J/mol×K 838.44 Calculated Property
Cp,gas 421.32 J/mol×K 919.22 Calculated Property
Cp,gas 434.29 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [486.66; 591.54] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A2.86214e+01
Coefficient B-1.37888e+04
Coefficient C0.00000e+00
Temperature range, min.486.66
Temperature range, max.591.54
Pvap 1.33 kPa 486.66 Calculated Property
Pvap 2.59 kPa 498.31 Calculated Property
Pvap 4.87 kPa 509.97 Calculated Property
Pvap 8.91 kPa 521.62 Calculated Property
Pvap 15.87 kPa 533.27 Calculated Property
Pvap 27.59 kPa 544.93 Calculated Property
Pvap 46.86 kPa 556.58 Calculated Property
Pvap 77.89 kPa 568.23 Calculated Property
Pvap 126.85 kPa 579.89 Calculated Property
Pvap 202.63 kPa 591.54 Calculated Property

Similar Compounds

Diuron. Urea, N'-(3-chlorophenyl)-N,N-dimethyl-. Urea, N,N-dimethyl-N'-phenyl-. Monolinuron. 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea. Urea, N'-[4-(4-chlorophenoxy)phenyl]-N,N-dimethyl-. Urea, (4-chlorophenyl)-. N,N-Dimethyl-N'-p-methylphenylurea. 3-(2,3-Dichlorophenyl)-1,1-dimethylurea. 3-(4-Methoxyphenyl)-1,1-dimethylurea. Urea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl-. Linuron. Urea), 1,1'-p-phenylenebis-(3-methyl-. Metoxuron. Urea, N-methyl-N'-phenyl-.

Find more compounds similar to Urea, N'-(4-chlorophenyl)-N,N-dimethyl-.

Sources

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