Chemical Properties of Urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)- (CAS 13908-71-9)

Urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-

InChI
InChI=1S/C19H22Cl2N4O2/c20-9-11-22-18(26)24-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)25-19(27)23-12-10-21/h1-8H,9-13H2,(H2,22,24,26)(H2,23,25,27)
InChI Key
NPAPTMFFWIVXJJ-UHFFFAOYSA-N
Formula
C19H22Cl2N4O2
SMILES
O=C(NCCCl)Nc1ccc(Cc2ccc(NC(=O)NCCCl)cc2)cc1
Molecular Weight1
409.31
CAS
13908-71-9
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Physical Properties

Property Value Unit Source
ΔfusH° 64.26 kJ/mol Joback Calculated Property
IE 8.17 eV Relay (1.0) Calculated Property
logPoct/wat 3.998 Crippen Calculated Property
McVol 298.590 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [392.53; 898.57] 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-1.79350e+01
Coefficient B1.79440e+00
Coefficient C-1.13592e-03
Coefficient D2.58020e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 392.53 J/mol×K 273.00 Calculated Property
Cp,gas 486.14 J/mol×K 353.78 Calculated Property
Cp,gas 568.50 J/mol×K 434.56 Calculated Property
Cp,gas 640.43 J/mol×K 515.33 Calculated Property
Cp,gas 702.74 J/mol×K 596.11 Calculated Property
Cp,gas 756.24 J/mol×K 676.89 Calculated Property
Cp,gas 801.76 J/mol×K 757.67 Calculated Property
Cp,gas 840.11 J/mol×K 838.44 Calculated Property
Cp,gas 872.11 J/mol×K 919.22 Calculated Property
Cp,gas 898.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

Urea, 1-(4-acetylphenyl)-3-(2-chloroethyl)-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-. Urea, 1-(2-chloroethyl)-3-(5,6,7,8-tetrahydro-2-naphthyl)-. [4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid. Benzoic acid, m-[3-(2-chloroethyl)ureido]-. Anthranilic acid, n-[(chloroethyl)carbamoyl]-. 4,4'-Methylene di-carbanilide. N-(2-chloroethyl)-n'-(7-quinolinyl)urea. Uracil, 1-{p-[3-(2-chloroethyl)ureido]benzyl}-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-. Urea, 1-(2-chloroethyl)-3-(p-methoxyphenyl)-. Urea, 1-(2-chloroethyl)-3-(m-chloropheneyl)-. Urea, 1-(2-chloroethyl)-3-(2-naphthyl)-. Fluspirilene. Nicolaioidesin B.

Find more compounds similar to Urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-.

Sources

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