Chemical Properties of Urea, 1,1'-o-phenylenebis[3-(2-chloroethyl)-

Urea, 1,1'-o-phenylenebis[3-(2-chloroethyl)-

InChI
InChI=1S/C12H16Cl2N4O2/c13-5-7-15-11(19)17-9-3-1-2-4-10(9)18-12(20)16-8-6-14/h1-4H,5-8H2,(H2,15,17,19)(H2,16,18,20)
InChI Key
JAOPEDLQYKNPMS-UHFFFAOYSA-N
Formula
C12H16Cl2N4O2
SMILES
O=C(NCCCl)Nc1ccccc1NC(=O)NCCCl
Molecular Weight1
319.19
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Physical Properties

Property Value Unit Source
ΔfusH° 52.48 kJ/mol Joback Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
logPoct/wat 2.407 Crippen Calculated Property
McVol 223.720 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 [298.74; 658.99] 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 A8.03400e+00
Coefficient B1.26780e+00
Coefficient C-7.90960e-04
Coefficient D1.74120e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 298.74 J/mol×K 273.00 Calculated Property
Cp,gas 365.27 J/mol×K 353.78 Calculated Property
Cp,gas 423.89 J/mol×K 434.56 Calculated Property
Cp,gas 475.15 J/mol×K 515.33 Calculated Property
Cp,gas 519.60 J/mol×K 596.11 Calculated Property
Cp,gas 557.79 J/mol×K 676.89 Calculated Property
Cp,gas 590.28 J/mol×K 757.67 Calculated Property
Cp,gas 617.61 J/mol×K 838.44 Calculated Property
Cp,gas 640.33 J/mol×K 919.22 Calculated Property
Cp,gas 658.99 J/mol×K 1000.00 Calculated Property

Similar Compounds

Urea, 1-(2-chloroethyl)-3-(2-naphthyl)-. Urea, 1-(2-chloroethyl)-3-(m-chloropheneyl)-. Urea, 1-(2-chloroethyl)-3-(p-methoxyphenyl)-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-. Urea, N-ethyl-N'-phenyl-. Urea, 1-(2-fluoroethyl)-3-phenyl-. Urea, 1-(4-acetylphenyl)-3-(2-chloroethyl)-. 1-BUTYL-3-PHENYLUREA. Urea,1-phenyl-3-(2-iodoethyl)-. Anthranilic acid, n-[(chloroethyl)carbamoyl]-. Urea, 1-(2-cyanoethyl)-3-phenyl-. N-(2-chloroethyl)-n'-(7-quinolinyl)urea. Benzoic acid, m-[3-(2-chloroethyl)ureido]-. Urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-. Urea, 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)-.

Find more compounds similar to Urea, 1,1'-o-phenylenebis[3-(2-chloroethyl)-.

Sources

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