- InChI
- InChI=1S/C8H17NO2/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3
- InChI Key
- ICPWNTVICOHCML-UHFFFAOYSA-N
- Formula
- C8H17NO2
- SMILES
- CCOC(=O)C(N)C(C)CC
- Molecular Weight1
- 159.23
- CAS
- 55056-62-7
- Other Names
-
- Isoleucine, ethyl ester, L-
- ethyl L-isoleucinate
- Isoleucine ethyl ester
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -155.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.42 | kJ/mol | Joback Calculated Property |
| log10WS | -1.34 | Crippen Calculated Property | |
| logPoct/wat | 0.923 | Crippen Calculated Property | |
| McVol | 141.000 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Inp | [1114.00; 1114.00] |
|
|
| Inp | 1114.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Tboil | 530.38 | K | Joback Calculated Property |
| Tc | 724.15 | K | Joback Calculated Property |
| Tfus | 305.34 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.70; 409.70] | J/mol×K | [530.38; 724.15] |
|
| Cp,gas | 338.70 | J/mol×K | 530.38 | Joback Calculated Property |
| Cp,gas | 351.98 | J/mol×K | 562.68 | Joback Calculated Property |
| Cp,gas | 364.67 | J/mol×K | 594.97 | Joback Calculated Property |
| Cp,gas | 376.78 | J/mol×K | 627.27 | Joback Calculated Property |
| Cp,gas | 388.32 | J/mol×K | 659.56 | Joback Calculated Property |
| Cp,gas | 399.29 | J/mol×K | 691.86 | Joback Calculated Property |
| Cp,gas | 409.70 | J/mol×K | 724.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dl-Isoleucine, ethyl ester.
Sources
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