Chemical Properties of .alpha.-Aminoisobutanoic acid

InChI

InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)

InChI Key

FUOOLUPWFVMBKG-UHFFFAOYSA-N

Formula

C4H9NO2

SMILES

CC(C)(N)C(=O)O

Molecular Weight¹

103.12

Other Names

• .alpha.-aminoisobutyric acid
• 2-amino-2-methylpropanoic acid
• 2-amino-2-methylpropionic acid
• 2-aminoisobutyric acid
• 2-methylalanine
• AIB
• NSC 16590
• Propionic acid, 2-amino-2-methyl-
• alanine, 2-methyl-
• aminoisobutyric acid
• propanoic acid, 2-amino-2-methyl-
• «alpha»,«alpha»-Dimethylglycine
• «alpha»-Aminoisobutyric acid
• «alpha»-Methylalanine

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-2330.00; -2265.99]	kJ/mol
ΔcH°solid	-2265.99 ± 0.42	kJ/mol	NIST
ΔcH°solid	-2330.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	-444.02	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-594.28; -527.00]	kJ/mol
ΔfH°solid	-594.28 ± 0.48	kJ/mol	NIST
ΔfH°solid	-527.00 ± 2.00	kJ/mol	NIST
ΔfusH°	9.59	kJ/mol	Joback Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.192		Crippen Calculated Property
McVol	84.640	ml/mol	McGowan Calculated Property
Tboil	458.98	K	Relay (1.0) Calculated Property
Tfus	491.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[194.06; 233.76]	J/mol×K	[506.27; 703.19]
Cp,gas	194.06	J/mol×K	506.27	Joback Calculated Property
Cp,gas	201.81	J/mol×K	539.09	Joback Calculated Property
Cp,gas	209.08	J/mol×K	571.91	Joback Calculated Property
Cp,gas	215.88	J/mol×K	604.73	Joback Calculated Property
Cp,gas	222.24	J/mol×K	637.55	Joback Calculated Property
Cp,gas	228.19	J/mol×K	670.37	Joback Calculated Property
Cp,gas	233.76	J/mol×K	703.19	Joback Calculated Property
ΔsubH	[125.80; 134.20]	kJ/mol	[413.50; 455.00]
ΔsubH	134.20	kJ/mol	413.50	NIST
ΔsubH	125.80	kJ/mol	450.50	NIST
ΔsubH	129.50 ± 0.40	kJ/mol	455.00	NIST

Similar Compounds

Find more compounds similar to .alpha.-Aminoisobutanoic acid.

Mixtures

• .alpha.-Aminoisobutanoic acid + Water

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Binary Diffusion Coefficients of Aqueous Phenylalanine, Tyrosine Isomers, and Aminobutyric Acids at Infinitesimal Concentration and Temperatures from (293.2 to 333.2) K
• Joback Method
• McGowan Method
• NIST Webbook

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.
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