Chemical Properties of Acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester (CAS 90641-79-5)

Acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester

InChI
InChI=1S/C8H13N3O3/c1-2-14-7(12)6-11-8(13)10-5-3-4-9/h2-3,5-6H2,1H3,(H2,10,11,13)
InChI Key
IGKSODBCEFQNCG-UHFFFAOYSA-N
Formula
C8H13N3O3
SMILES
CCOC(=O)CNC(=O)NCCC#N
Molecular Weight1
199.21
CAS
90641-79-5
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Physical Properties

Property Value Unit Source
ω 0.7432 Relay (1.0) Calculated Property
ΔfG° -34.40 kJ/mol Joback Calculated Property
ΔfH°gas -460.87 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.57 kJ/mol Joback Calculated Property
ΔvapH° 91.66 kJ/mol Relay (1.0) Calculated Property
IE 9.82 eV Relay (1.0) Calculated Property
log10WS -0.81 Relay (1.0) Calculated Property
logPoct/wat -0.238 Crippen Calculated Property
McVol 153.930 ml/mol McGowan Calculated Property
Pc 2841.41 kPa Joback Calculated Property
Tboil 582.44 K Relay (1.0) Calculated Property
Tc 806.46 K Relay (1.0) Calculated Property
Tfus 377.30 K Relay (1.0) Calculated Property
Vc 0.558 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [414.81; 464.48] J/mol×K [715.02; 916.49] Show Hide
Cp,gas 414.81 J/mol×K 715.02 Joback Calculated Property
Cp,gas 424.60 J/mol×K 748.60 Joback Calculated Property
Cp,gas 433.78 J/mol×K 782.18 Joback Calculated Property
Cp,gas 442.35 J/mol×K 815.75 Joback Calculated Property
Cp,gas 450.32 J/mol×K 849.33 Joback Calculated Property
Cp,gas 457.69 J/mol×K 882.91 Joback Calculated Property
Cp,gas 464.48 J/mol×K 916.49 Joback Calculated Property

Similar Compounds

Glycine, n-[(2-chloroethyl )carbamoyl]-, ethyl ester. Acetic acid, (3-methylureido)-, ethyl ester. Glycine, n-(1-aziridinylcarbonyl)-, ethyl ester. 1,3-Di-(1,2-dicarbethoxyethyl) urea. 1,3-Di-(2-carbethoxyethyl) urea. 1,3-Di-(1-carbethoxy-3-methylbutyl) urea. 1,3-Di-(1,3-dicarbethoxypropyl) urea. 1-Benzyl-3-carbethoxymethyl urea. N-(beta-cyanoethyl)glycine ethyl ester. Glycine, n-[(2-chloroethyl)carbamoyl]-n-nitroso-, ethyl ester. Glutamic acid, n-[(2-chloroethyl)carbamoyl]-, dimethyl ester. 1-Benzyl-3-(1-carbethoxy-3-methylbutyl) urea. 1-Benzyl-3-(1,2-dicarbethoxyethyl)urea. 1-Benzyl-3-(1,3-dicarbethoxypropyl) urea. 1-Benzyl-3-(10-carbethoxydecyl) urea.

Find more compounds similar to Acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester.

Sources

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