Chemical Properties of Acetic acid, 3(2-chloroethyl)ureido- (CAS 87219-18-9)

Acetic acid, 3(2-chloroethyl)ureido-

InChI
InChI=1S/C5H9ClN2O3/c6-1-2-7-5(11)8-3-4(9)10/h1-3H2,(H,9,10)(H2,7,8,11)
InChI Key
CEDUJPWCSLBKJL-UHFFFAOYSA-N
Formula
C5H9ClN2O3
SMILES
O=C(O)CNC(=O)NCCCl
Molecular Weight1
180.59
CAS
87219-18-9
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Physical Properties

Property Value Unit Source
ΔfusH° 34.84 kJ/mol Joback Calculated Property
IE 9.44 eV Relay (1.0) Calculated Property
log10WS -0.55 Relay (1.0) Calculated Property
logPoct/wat -0.391 Crippen Calculated Property
McVol 122.520 ml/mol McGowan Calculated Property
Tboil 545.37 K Relay (1.0) Calculated Property
Tfus 409.92 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [299.95; 340.09] J/mol×K [651.15; 857.24] Show Hide
Cp,gas 299.95 J/mol×K 651.15 Joback Calculated Property
Cp,gas 307.86 J/mol×K 685.50 Joback Calculated Property
Cp,gas 315.25 J/mol×K 719.85 Joback Calculated Property
Cp,gas 322.14 J/mol×K 754.19 Joback Calculated Property
Cp,gas 328.56 J/mol×K 788.54 Joback Calculated Property
Cp,gas 334.53 J/mol×K 822.89 Joback Calculated Property
Cp,gas 340.09 J/mol×K 857.24 Joback Calculated Property

Similar Compounds

Glycine, n-[(2-chloroethyl )carbamoyl]-, ethyl ester. Urea, 1-(2-chloroethyl)-3-(cyanomethyl)-. Urea, 1-(2-chloroethyl)-3-(2,2,2-trifluoroethyl)-. Biuret, 1,5-bis(2-chloroethyl)-. Propanoic acid, 3-hydroxy-2[3-(2-chloroethyl)ureido]-. Urea, 3-(2-chloroethyl)-1,1-dimethyl-. Acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester. 1-Imidazolidinecarboxamide, n-(2-chloroethyl)-2-oxo-. Biuret, 5-(2-chloroethyl)-1-methyl-1-nitroso-. Glycine, n-[(2-chloroethyl)carbamoyl]-n-nitroso-, ethyl ester. Acetic acid, (3-methylureido)-, ethyl ester. Glycine, n-(1-aziridinylcarbonyl)-, ethyl ester. Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-. Urea, 1-(2-chloroethyl)-3-methyl-3-nitroso-. N'-(2-chloroethyl)-n-methoxy-n-methylurea.

Find more compounds similar to Acetic acid, 3(2-chloroethyl)ureido-.

Sources

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