- 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
- Other Names
-
- Isoleucine, DL-
- DL-allo-isoleucine
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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 | |
| ΔcH°solid | [-3583.70; -3583.70] | kJ/mol |
|
| ΔcH°solid | -3583.70 ± 1.90 | kJ/mol | NIST |
| ΔcH°solid | -3583.70 ± 1.80 | kJ/mol | NIST |
| ΔfG° | -282.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -635.20 ± 1.90 | kJ/mol | NIST |
| 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 |
|---|---|---|---|---|
| Cp,gas | [278.31; 333.92] | J/mol×K | [554.04; 761.79] |
|
| Cp,gas | 278.31 | J/mol×K | 554.04 | Joback Calculated Property |
| Cp,gas | 289.01 | J/mol×K | 588.67 | Joback Calculated Property |
| Cp,gas | 299.10 | J/mol×K | 623.29 | Joback Calculated Property |
| Cp,gas | 308.61 | J/mol×K | 657.92 | Joback Calculated Property |
| Cp,gas | 317.57 | J/mol×K | 692.54 | Joback Calculated Property |
| Cp,gas | 326.00 | J/mol×K | 727.17 | Joback Calculated Property |
| Cp,gas | 333.92 | J/mol×K | 761.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DL-Isoleucine.
Sources
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