Chemical Properties of [2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate

InChI

InChI=1S/C12H14N2O4/c1-8(11(13)16)14-10(15)7-18-12(17)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,16)(H,14,15)

InChI Key

GUNGCOIXSOZDCM-UHFFFAOYSA-N

Formula

C12H14N2O4

SMILES

CC(NC(=O)COC(=O)c1ccccc1)C(N)=O

Molecular Weight¹

250.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[533.46; 584.60]	J/mol×K	[806.93; 1035.22]
Cp,gas	533.46	J/mol×K	806.93	Joback Calculated Property
Cp,gas	544.37	J/mol×K	844.98	Joback Calculated Property
Cp,gas	554.28	J/mol×K	883.03	Joback Calculated Property
Cp,gas	563.23	J/mol×K	921.07	Joback Calculated Property
Cp,gas	571.24	J/mol×K	959.12	Joback Calculated Property
Cp,gas	578.36	J/mol×K	997.17	Joback Calculated Property
Cp,gas	584.60	J/mol×K	1035.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to [2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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