- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5058 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -691.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.710 | Crippen Calculated Property | |
| McVol | 156.660 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Inp | [1215.00; 1215.00] |
|
|
| Inp | 1215.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Tboil | 479.16 | K | Relay (1.0) Calculated Property |
| Tc | 679.02 | K | Relay (1.0) Calculated Property |
| Tfus | 328.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.578 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [391.91; 464.25] | J/mol×K | [564.11; 760.14] |
|
| Cp,gas | 391.91 | J/mol×K | 564.11 | Joback Calculated Property |
| Cp,gas | 405.90 | J/mol×K | 596.78 | Joback Calculated Property |
| Cp,gas | 419.08 | J/mol×K | 629.45 | Joback Calculated Property |
| Cp,gas | 431.49 | J/mol×K | 662.12 | Joback Calculated Property |
| Cp,gas | 443.13 | J/mol×K | 694.80 | Joback Calculated Property |
| Cp,gas | 454.05 | J/mol×K | 727.47 | Joback Calculated Property |
| Cp,gas | 464.25 | J/mol×K | 760.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Alanine, N-pivaloyl-, methyl ester.
Sources
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