- InChI
- InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
- InChI Key
- AGPKZVBTJJNPAG-UHFFFAOYSA-N
- Formula
- C6H13NO2
- SMILES
- CCC(C)C(N)C(=O)O
- Molecular Weight1
- 131.17
- CAS
- 3107-04-8
- Other Names
-
- (2S,3S)-.alpha.-amino-.beta.-methyl-n-valeric acid
- (2S,3S)-.alpha.-amino-.beta.-methylvaleric acid
- (2S,3S)-2-amino-3-methylpentanoic acid
- (S)-isoleucine
- (S,S)-isoleucine
- .alpha.-amino-.beta.-methylvaleric acid
- 2-amino-3-methylpentanoic acid
- 2-amino-3-methylvaleric acid
- 2S,3S-isoleucine
- L-(+)-isoleucine
- L-isoleucine
- L-norvaline, 3-methyl-, erythro-
- [S-(R*,R*)]-2-amino-3-methylpentanoic acid
- erythro-L-isoleucine
- isoleucine
- isoleucine, L-
- pentanoic acid, 2-amino-3-methyl-, [S-(R*,R*)]-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6552 | Relay (1.0) Calculated Property | |
| ΔfG° | -282.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.444 | Crippen Calculated Property | |
| McVol | 112.820 | ml/mol | McGowan Calculated Property |
| Pc | 3754.57 | kPa | Joback Calculated Property |
| Tboil | 483.11 | K | Relay (1.0) Calculated Property |
| Tc | 681.44 | K | Relay (1.0) Calculated Property |
| Tfus | 451.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.383 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 120.10 ± 0.80 | kJ/mol | 455.00 | NIST |
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
- Heterogeneous interaction between zwitterions of some l- -amino acids and ethanol molecule in water at 298.15K
- KCl effect on the solubility of five different amino acids in water
- Solubility of l-serine, l-threonine and l-isoleucine in aqueous aliphatic alcohol solutions
- Intermolecular/interionic interactions in L-isoleucine-, L-proline-, and L-glutamine-aqueous electrolyte systems
- Thermodynamics of proton dissociations from aqueous threonine and isoleucine at temperatures from (278.15 to 393.15) K, molalities from (0.01 to 1.0) mol * kg-1, and at the pressure 0.35 MPa: Apparent molar heat capacities and apparent molar volumes of zwitterionic, protonated cationic, and deprotonated anionic forms
- The effect of ammonium sulfate on the solubility of amino acids in water at (298.15 and 323.15) K
- Study of the interactions of PAMAM-NH2 G4 dendrimer with selected natural amino acids in aqueous solutions
- Study of (solute + solute) and (solute + solvent) interactions of homologous series of some .alpha.-amino acids in aqueous-streptomycin sulfate solutions at different temperatures by using physicochemical methods
- Physicochemical study of solute-solute and solute-solvent interactions of glycine, L-alanine, L-valine and L-isoleucine in aqueous-D-mannose solutions at temperatures from 293.15 K to 318.15 K
- Study of solute-solute and solute-solvent interactions of homologous series of some .alpha.-amino acids in aqueous-D-xylose solutions at different temperatures by using physicochemical methods
- Effect of concentration and temperature on apparent molar properties of homologous alpha-amino acids in aqueous-semicarbazide hydrochloride solutions: A quest on the concept of kosmotropic/chaotropic behaviour of amino acids
- Expliciting the {Ciprofloxacin Hydrochloride + (Glycine/l-Isoleucine)} Interactions in Aqueous Solution over the Temperature range T = 288.15-323.15 K and at Pressure p = 1 x 105 Pa: Volumetric, Acoustic, Calorimetric, and Absorption studies
- Electrolytic Effect on the Solubility and Solvation Thermodynamics of l-Serine and l-Isoleucine in Aqueous Media
- Studies on the Diffusion Coefficients of Amino Acids in Aqueous Solutions
- 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
- Enthalpic Interaction Coefficients of Several l-a-Amino Acids in Aqueous Sodium Chloride Solutions at 298.15 K
- Densities and Speeds of Sound in L-Leucine/L-Isoleucine + Aqueous K2SO4/KNO3 Systems at (298.15 to 323.15) K
- Joback Method
- McGowan Method
- NIST Webbook
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