- InChI
- InChI=1S/C11H21NO3/c1-7(2)8(9(13)15-6)12-10(14)11(3,4)5/h7-8H,1-6H3,(H,12,14)
- InChI Key
- ZOMUUMHLEGAWIX-UHFFFAOYSA-N
- Formula
- C11H21NO3
- SMILES
- COC(=O)C(NC(=O)C(C)(C)C)C(C)C
- Molecular Weight1
- 215.29
- 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 | 0.5404 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -727.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.346 | Crippen Calculated Property | |
| McVol | 184.840 | ml/mol | McGowan Calculated Property |
| Pc | 2147.32 | kPa | Joback Calculated Property |
| Inp | [1343.00; 1343.00] |
|
|
| Inp | 1343.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Tboil | 493.38 | K | Relay (1.0) Calculated Property |
| Tc | 699.88 | K | Relay (1.0) Calculated Property |
| Tfus | 330.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | 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 | [490.67; 570.66] | J/mol×K | [609.43; 804.15] |
|
| Cp,gas | 490.67 | J/mol×K | 609.43 | Joback Calculated Property |
| Cp,gas | 506.17 | J/mol×K | 641.88 | Joback Calculated Property |
| Cp,gas | 520.76 | J/mol×K | 674.34 | Joback Calculated Property |
| Cp,gas | 534.48 | J/mol×K | 706.79 | Joback Calculated Property |
| Cp,gas | 547.35 | J/mol×K | 739.24 | Joback Calculated Property |
| Cp,gas | 559.40 | J/mol×K | 771.70 | Joback Calculated Property |
| Cp,gas | 570.66 | J/mol×K | 804.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, N-pivaloyl-, methyl ester.
Sources
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