Chemical Properties of L-«beta»-Aminoisobutyric acid, N-ethoxycarbonyl, (S)-1-phenylethylamide

InChI

InChI=1S/C15H22N2O3/c1-4-20-15(19)16-10-11(2)14(18)17-12(3)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,16,19)(H,17,18)/t11?,12-/m1/s1

InChI Key

ZWRSZYOWSZHTTM-PIJUOVFKSA-N

Formula

C15H22N2O3

SMILES

CCOC(=O)NCC(C)C(=O)NC(C)c1ccccc1

Molecular Weight¹

278.35

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• 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 Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[678.62; 748.79]	J/mol×K	[798.90; 1010.75]
Cp,gas	678.62	J/mol×K	798.90	Joback Calculated Property
Cp,gas	692.87	J/mol×K	834.21	Joback Calculated Property
Cp,gas	706.04	J/mol×K	869.52	Joback Calculated Property
Cp,gas	718.18	J/mol×K	904.83	Joback Calculated Property
Cp,gas	729.33	J/mol×K	940.14	Joback Calculated Property
Cp,gas	739.52	J/mol×K	975.45	Joback Calculated Property
Cp,gas	748.79	J/mol×K	1010.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-«beta»-Aminoisobutyric acid, N-ethoxycarbonyl, (S)-1-phenylethylamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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