Chemical Properties of (2-oxo-2-propylaminoethyl) benzoate

InChI

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

InChI Key

OLCZSUFMDPGDIL-UHFFFAOYSA-N

Formula

C12H15NO3

SMILES

CCCNC(=O)COC(=O)c1ccccc1

Molecular Weight¹

221.26

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[459.14; 527.42]	J/mol×K	[663.10; 873.85]
Cp,gas	459.14	J/mol×K	663.10	Joback Calculated Property
Cp,gas	472.80	J/mol×K	698.23	Joback Calculated Property
Cp,gas	485.51	J/mol×K	733.35	Joback Calculated Property
Cp,gas	497.30	J/mol×K	768.48	Joback Calculated Property
Cp,gas	508.19	J/mol×K	803.60	Joback Calculated Property
Cp,gas	518.23	J/mol×K	838.73	Joback Calculated Property
Cp,gas	527.42	J/mol×K	873.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2-oxo-2-propylaminoethyl) benzoate.

Sources

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

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.