Chemical Properties of D-«alpha»-Aminobutyric acid, N-ethoxycarbonyl, (S)-1-phenylethylamide

InChI

InChI=1S/C15H22N2O3/c1-4-13(17-15(19)20-5-2)14(18)16-11(3)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3,(H,16,18)(H,17,19)/t11-,13+/m0/s1

InChI Key

OZEQGPIMDHVKDV-WCQYABFASA-N

Formula

C15H22N2O3

SMILES

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

Molecular Weight¹

278.35

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7047		Relay (1.0) Calculated Property
ΔfG°	-1.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-570.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.18	kJ/mol	Joback Calculated Property
ΔvapH°	103.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.388		Crippen Calculated Property
McVol	227.420	ml/mol	McGowan Calculated Property
Pc	2111.94	kPa	Joback Calculated Property
Inp	[2060.00; 2060.00]
Inp	2060.00		NIST
Inp	2060.00		NIST
Tboil	580.26	K	Relay (1.0) Calculated Property
Tc	842.39	K	Relay (1.0) Calculated Property
Tfus	373.86	K	Relay (1.0) Calculated Property
Vc	0.801	m3/kmol	Relay (1.0) Calculated Property

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 D-«alpha»-Aminobutyric 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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