- InChI
- InChI=1S/C14H27NO4/c1-5-7-9-18-14(17)15-12(8-6-2)13(16)19-10-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
- InChI Key
- UCTNALSWXAFYQH-UHFFFAOYSA-N
- Formula
- C14H27NO4
- SMILES
- CCCCOC(=O)NC(CCC)C(=O)OCC(C)C
- Molecular Weight1
- 273.37
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -969.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.23 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.881 | Crippen Calculated Property | |
| McVol | 232.980 | ml/mol | McGowan Calculated Property |
| Inp | 1634.00 | NIST | |
| Tboil | 560.86 | K | Relay (1.0) Calculated Property |
| Tfus | 268.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [668.75; 752.56] | J/mol×K | [685.65; 864.60] | 
|
| Cp,gas | 668.75 | J/mol×K | 685.65 | Joback Calculated Property |
| Cp,gas | 684.89 | J/mol×K | 715.47 | Joback Calculated Property |
| Cp,gas | 700.15 | J/mol×K | 745.30 | Joback Calculated Property |
| Cp,gas | 714.54 | J/mol×K | 775.12 | Joback Calculated Property |
| Cp,gas | 728.07 | J/mol×K | 804.95 | Joback Calculated Property |
| Cp,gas | 740.74 | J/mol×K | 834.77 | Joback Calculated Property |
| Cp,gas | 752.56 | J/mol×K | 864.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, n-butoxycarbonyl-, isobutyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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