- InChI
- InChI=1S/C8H15NO3/c1-4-5-7(10)9-6(2)8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
- InChI Key
- GTVWZSTVCZTLRU-UHFFFAOYSA-N
- Formula
- C8H15NO3
- SMILES
- CCCC(=O)NC(C)C(=O)OC
- Molecular Weight1
- 173.21
- 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° | -259.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.35 | kJ/mol | Joback Calculated Property |
| log10WS | -1.11 | Crippen Calculated Property | |
| logPoct/wat | 0.464 | Crippen Calculated Property | |
| McVol | 142.570 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [1265.00; 1265.00] |
|
|
| Inp | 1265.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Tboil | 562.33 | K | Joback Calculated Property |
| Tc | 752.51 | K | Joback Calculated Property |
| Tfus | 339.67 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.83; 410.57] | J/mol×K | [562.33; 752.51] |
|
| Cp,gas | 345.83 | J/mol×K | 562.33 | Joback Calculated Property |
| Cp,gas | 358.00 | J/mol×K | 594.03 | Joback Calculated Property |
| Cp,gas | 369.61 | J/mol×K | 625.72 | Joback Calculated Property |
| Cp,gas | 380.67 | J/mol×K | 657.42 | Joback Calculated Property |
| Cp,gas | 391.18 | J/mol×K | 689.12 | Joback Calculated Property |
| Cp,gas | 401.15 | J/mol×K | 720.82 | Joback Calculated Property |
| Cp,gas | 410.57 | J/mol×K | 752.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Alanine, N-butyryl-, methyl ester.
Sources
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