Chemical Properties of dl-3-Aminoisobutyric acid, N-methyl-, methyl ester

InChI

InChI=1S/C6H13NO2/c1-5(4-7-2)6(8)9-3/h5,7H,4H2,1-3H3

InChI Key

SXSWYMMPWYAQNU-UHFFFAOYSA-N

Formula

C6H13NO2

SMILES

CNCC(C)C(=O)OC

Molecular Weight¹

131.17

Other Names

• Methyl 2-methyl-3-(methylamino)propanoate

• 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°	-147.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-363.78	kJ/mol	Joback Calculated Property
ΔfusH°	15.66	kJ/mol	Joback Calculated Property
ΔvapH°	44.15	kJ/mol	Joback Calculated Property
log10WS	-0.14		Crippen Calculated Property
logPoct/wat	0.015		Crippen Calculated Property
McVol	112.820	ml/mol	McGowan Calculated Property
Pc	3352.86	kPa	Joback Calculated Property
Inp	[944.20; 944.20]
Inp	944.20		NIST
Inp	944.20		NIST
Tboil	462.70	K	Joback Calculated Property
Tc	648.02	K	Joback Calculated Property
Tfus	267.20	K	Joback Calculated Property
Vc	0.424	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.24; 300.75]	J/mol×K	[462.70; 648.02]
Cp,gas	241.24	J/mol×K	462.70	Joback Calculated Property
Cp,gas	252.18	J/mol×K	493.59	Joback Calculated Property
Cp,gas	262.71	J/mol×K	524.47	Joback Calculated Property
Cp,gas	272.83	J/mol×K	555.36	Joback Calculated Property
Cp,gas	282.54	J/mol×K	586.25	Joback Calculated Property
Cp,gas	291.85	J/mol×K	617.13	Joback Calculated Property
Cp,gas	300.75	J/mol×K	648.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to dl-3-Aminoisobutyric acid, N-methyl-, methyl ester.

Sources

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

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