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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.81; 464.48]	J/mol×K	[715.02; 916.49]
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

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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