Chemical Properties of L-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI

InChI=1S/C12H23NO4/c1-6-10(13-12(15)16-7-2)11(14)17-9(5)8(3)4/h8-10H,6-7H2,1-5H3,(H,13,15)/t9-,10?/m0/s1

InChI Key

ZHTVAOXHQKTVHZ-RGURZIINSA-N

Formula

C12H23NO4

SMILES

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

Molecular Weight¹

245.32

• 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).
• 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
ΔfG°	-335.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.98	kJ/mol	Joback Calculated Property
ΔfusH°	26.94	kJ/mol	Joback Calculated Property
ΔvapH°	65.89	kJ/mol	Joback Calculated Property
log10WS	-2.72		Crippen Calculated Property
logPoct/wat	2.099		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Pc	1991.21	kPa	Joback Calculated Property
Inp	[1545.50; 1545.50]
Inp	1545.50		NIST
Inp	1545.50		NIST
Tboil	675.39	K	Joback Calculated Property
Tc	863.40	K	Joback Calculated Property
Tfus	376.98	K	Joback Calculated Property
Vc	0.772	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.09; 652.08]	J/mol×K	[675.39; 863.40]
Cp,gas	573.09	J/mol×K	675.39	Joback Calculated Property
Cp,gas	588.21	J/mol×K	706.72	Joback Calculated Property
Cp,gas	602.55	J/mol×K	738.06	Joback Calculated Property
Cp,gas	616.10	J/mol×K	769.39	Joback Calculated Property
Cp,gas	628.87	J/mol×K	800.73	Joback Calculated Property
Cp,gas	640.87	J/mol×K	832.06	Joback Calculated Property
Cp,gas	652.08	J/mol×K	863.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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