- InChI
- InChI=1S/C9H17NO3/c1-6(7(11)13-5)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12)
- InChI Key
- OTUZHOXNCVOSAC-UHFFFAOYSA-N
- Formula
- C9H17NO3
- SMILES
- COC(=O)C(C)NC(=O)C(C)(C)C
- Molecular Weight1
- 187.24
- 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° | -248.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.28 | kJ/mol | Joback Calculated Property |
| log10WS | -1.29 | Crippen Calculated Property | |
| logPoct/wat | 0.710 | Crippen Calculated Property | |
| McVol | 156.660 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Inp | [1215.00; 1215.00] |
|
|
| Inp | 1215.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Tboil | 581.98 | K | Joback Calculated Property |
| Tc | 780.42 | K | Joback Calculated Property |
| Tfus | 353.36 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.49; 467.46] | J/mol×K | [581.98; 780.42] |
|
| Cp,gas | 396.49 | J/mol×K | 581.98 | Joback Calculated Property |
| Cp,gas | 410.14 | J/mol×K | 615.05 | Joback Calculated Property |
| Cp,gas | 423.03 | J/mol×K | 648.13 | Joback Calculated Property |
| Cp,gas | 435.19 | J/mol×K | 681.20 | Joback Calculated Property |
| Cp,gas | 446.63 | J/mol×K | 714.27 | Joback Calculated Property |
| Cp,gas | 457.38 | J/mol×K | 747.34 | Joback Calculated Property |
| Cp,gas | 467.46 | J/mol×K | 780.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Alanine, N-pivaloyl-, methyl ester.
Sources
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