Chemical Properties of allo-L-isoleucine (CAS 3107-04-8)

InChI

InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1

InChI Key

AGPKZVBTJJNPAG-UHNVWZDZSA-N

Formula

C6H13NO2

SMILES

CC[C@@H](C)[C@H](N)C(=O)O

Molecular Weight¹

131.17

CAS

3107-04-8

Other Names

• 2-Amino-3-methylpentanoic acid

• 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_subH : Enthalpy of sublimation at a given temperature (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).
• 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

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.13; 376.70]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.16100e+00
Coefficient B			6.98340e-01
Coefficient C			-4.25000e-04
Coefficient D			9.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.13	J/mol×K	273.00	Calculated Property
Cp,gas	203.37	J/mol×K	353.78	Calculated Property
Cp,gas	236.43	J/mol×K	434.56	Calculated Property
Cp,gas	265.61	J/mol×K	515.33	Calculated Property
Cp,gas	291.23	J/mol×K	596.11	Calculated Property
Cp,gas	313.59	J/mol×K	676.89	Calculated Property
Cp,gas	333.01	J/mol×K	757.67	Calculated Property
Cp,gas	349.79	J/mol×K	838.44	Calculated Property
Cp,gas	364.25	J/mol×K	919.22	Calculated Property
Cp,gas	376.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to allo-L-isoleucine.

Mixtures

• d-Mannose + allo-L-isoleucine + Water
• allo-L-isoleucine + Water
• potassium chloride + allo-L-isoleucine + Water
• Streptomycin sulfate + allo-L-isoleucine + Water
• Ammonium sulfate + allo-L-isoleucine + Water
• xylose + allo-L-isoleucine + Water
• Potassium nitrate + allo-L-isoleucine + Water
• allo-L-isoleucine + Water + Potassium sulfate
• Ethanol + allo-L-isoleucine
• 1-Propanol + allo-L-isoleucine
• 2-Propanol + allo-L-isoleucine
• Ethanol + allo-L-isoleucine + Water
• 1-Propanol + allo-L-isoleucine + Water
• 2-Propanol + allo-L-isoleucine + Water
• Semicarbazide hydrochloride + allo-L-isoleucine + Water
• Hydrochloric acid + allo-L-isoleucine + Water
• sodium hydroxide + allo-L-isoleucine + Water
• Sodium nitrate + allo-L-isoleucine + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Infinite Dilution Binary Diffusion Coefficients of Several r-Amino Acids in Water over a Temperature Range from (293.2 to 333.2) K with the Taylor Dispersion Technique
• Joback Method
• McGowan Method
• NIST Webbook

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