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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[412.50; 462.36]	J/mol×K	[697.15; 896.58]
Cp,gas	412.50	J/mol×K	697.15	Joback Calculated Property
Cp,gas	422.41	J/mol×K	730.39	Joback Calculated Property
Cp,gas	431.66	J/mol×K	763.63	Joback Calculated Property
Cp,gas	440.28	J/mol×K	796.87	Joback Calculated Property
Cp,gas	448.26	J/mol×K	830.11	Joback Calculated Property
Cp,gas	455.62	J/mol×K	863.34	Joback Calculated Property
Cp,gas	462.36	J/mol×K	896.58	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.