Chemical Properties of [2-oxo-2-(propan-2-ylamino)ethyl] benzoate

InChI

InChI=1S/C12H15NO3/c1-9(2)13-11(14)8-16-12(15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)

InChI Key

FUWATACATASMHP-UHFFFAOYSA-N

Formula

C12H15NO3

SMILES

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

Molecular Weight¹

221.26

• 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	[463.56; 531.94]	J/mol×K	[680.53; 897.17]
Cp,gas	463.56	J/mol×K	680.53	Joback Calculated Property
Cp,gas	477.22	J/mol×K	716.64	Joback Calculated Property
Cp,gas	489.94	J/mol×K	752.74	Joback Calculated Property
Cp,gas	501.74	J/mol×K	788.85	Joback Calculated Property
Cp,gas	512.66	J/mol×K	824.95	Joback Calculated Property
Cp,gas	522.72	J/mol×K	861.06	Joback Calculated Property
Cp,gas	531.94	J/mol×K	897.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to [2-oxo-2-(propan-2-ylamino)ethyl] benzoate.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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