- InChI
- InChI=1S/C12H23NO4/c1-5-7-10(11(14)16-6-2)13-12(15)17-8-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
- InChI Key
- DCSNJOIXNSTESP-UHFFFAOYSA-N
- Formula
- C12H23NO4
- SMILES
- CCCC(NC(=O)OCC(C)C)C(=O)OCC
- Molecular Weight1
- 245.32
- 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° | -333.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.100 | Crippen Calculated Property | |
| McVol | 204.800 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | 1492.00 | NIST | |
| Tboil | 675.83 | K | Joback Calculated Property |
| Tc | 861.03 | K | Joback Calculated Property |
| Tfus | 391.98 | K | Joback Calculated Property |
| Vc | 0.778 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.60; 650.54] | J/mol×K | [675.83; 861.03] | 
|
| Cp,gas | 572.60 | J/mol×K | 675.83 | Joback Calculated Property |
| Cp,gas | 587.47 | J/mol×K | 706.70 | Joback Calculated Property |
| Cp,gas | 601.58 | J/mol×K | 737.56 | Joback Calculated Property |
| Cp,gas | 614.95 | J/mol×K | 768.43 | Joback Calculated Property |
| Cp,gas | 627.56 | J/mol×K | 799.30 | Joback Calculated Property |
| Cp,gas | 639.42 | J/mol×K | 830.16 | Joback Calculated Property |
| Cp,gas | 650.54 | J/mol×K | 861.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, ethyl ester.
Sources
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