- InChI
- InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
- InChI Key
- AGPKZVBTJJNPAG-CRCLSJGQSA-N
- Formula
- C6H13NO2
- SMILES
- CCC(C)C(N)C(=O)O
- Molecular Weight1
- 131.17
- CAS
- 73-32-5
- Other Names
-
- Isoleucine, L-
- «alpha»-Amino-«beta»-methylvaleric acid, (2S,3S)-
- Acetic acid, amino(1-methylpropyl)-, (R*,R*)-
- L-(+)-Isoleucine
- L-Norvaline, 3-methyl-, erythro-
- Norvaline, 3-methyl-, erythro-
- Pentanoic acid, 2-amino-3-methyl-, (2S,3S)-
- Pentanoic acid, 2-amino-3-methyl-, [S-(R*,R*)]-
- Valeric acid, 2-amino-3-methyl-
- 2-Amino-3-methylpentanoic acid, (S-(R*,R*))-
- 2-Amino-3-methylvaleric acid
- sec-C4H9CH(NH2)COOH
- Acetic acid, amino-sec-butyl-
- [S-(R*,R*)]-2-Amino-3-methylpentanoic acid
- (2S,3S)-2-Amino-3-methylpentanoic acid
- (2S,3S)-«alpha»-Amino-«beta»-methyl-n-valeric acid
- (S)-Isoleucine
- (S,S)-Isoleucine
- 2S,3S-Isoleucine
- L-Ile
- Isoleucine
- NSC 46708
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| PAff | [917.40; 923.40] | kJ/mol |
|
| PAff | 917.40 | kJ/mol | NIST |
| PAff | 923.40 | kJ/mol | NIST |
| BasG | 883.50 | kJ/mol | NIST |
| ΔcH°solid | [-3578.30; -3572.00] | kJ/mol |
|
| ΔcH°solid | -3578.30 ± 1.40 | kJ/mol | NIST |
| ΔcH°solid | -3572.00 ± 0.30 | kJ/mol | NIST |
| ΔfG° | -204.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.75 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-640.60; -638.10] | kJ/mol |
|
| ΔfH°solid | -640.60 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | -638.10 | kJ/mol | NIST |
| ΔfusH° | 15.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.24 | kJ/mol | Joback Calculated Property |
| IE | [8.66; 9.50] | eV |
|
| IE | 8.66 | eV | NIST |
| IE | 9.50 ± 0.20 | eV | NIST |
| log10WS | -0.74 | Crippen Calculated Property | |
| logPoct/wat | 0.444 | Crippen Calculated Property | |
| McVol | 112.820 | ml/mol | McGowan Calculated Property |
| Pc | 4077.71 | kPa | Joback Calculated Property |
| S°solid,1 bar | 207.99 | J/mol×K | NIST |
| Tboil | 554.38 | K | Joback Calculated Property |
| Tc | 743.19 | K | Joback Calculated Property |
| Tfus | 321.39 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.71; 326.94] | J/mol×K | [554.38; 743.19] |
|
| Cp,gas | 275.71 | J/mol×K | 554.38 | Joback Calculated Property |
| Cp,gas | 285.39 | J/mol×K | 585.85 | Joback Calculated Property |
| Cp,gas | 294.59 | J/mol×K | 617.32 | Joback Calculated Property |
| Cp,gas | 303.34 | J/mol×K | 648.79 | Joback Calculated Property |
| Cp,gas | 311.64 | J/mol×K | 680.26 | Joback Calculated Property |
| Cp,gas | 319.50 | J/mol×K | 711.72 | Joback Calculated Property |
| Cp,gas | 326.94 | J/mol×K | 743.19 | Joback Calculated Property |
| Cp,solid | 188.28 | J/mol×K | 298.15 | NIST |
| ΔsubH | 120.00 ± 0.80 | kJ/mol | 455.00 | NIST |
Similar Compounds
Find more compounds similar to L-Isoleucine.
Sources
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