- InChI
- InChI=1S/C14H25NO5/c1-13(2,3)11(17)15-9(10(16)19-7)8-20-12(18)14(4,5)6/h9H,8H2,1-7H3,(H,15,17)
- InChI Key
- MCIIKIHFRAEYIB-UHFFFAOYSA-N
- Formula
- C14H25NO5
- SMILES
-
COC(=O)C(COC(=O)C(C)(C)C)NC(=O
)C(C)(C)C - Molecular Weight1
- 287.35
- 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).
- 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 | -1097.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.280 | Crippen Calculated Property | |
| McVol | 234.550 | ml/mol | McGowan Calculated Property |
| Inp | [1645.00; 1645.00] |
|
|
| Inp | 1645.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Tboil | 538.02 | K | Relay (1.0) Calculated Property |
| Tfus | 317.20 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [694.34; 769.16] | J/mol×K | [733.50; 931.51] |
|
| Cp,gas | 694.34 | J/mol×K | 733.50 | Joback Calculated Property |
| Cp,gas | 709.39 | J/mol×K | 766.50 | Joback Calculated Property |
| Cp,gas | 723.35 | J/mol×K | 799.50 | Joback Calculated Property |
| Cp,gas | 736.27 | J/mol×K | 832.51 | Joback Calculated Property |
| Cp,gas | 748.19 | J/mol×K | 865.51 | Joback Calculated Property |
| Cp,gas | 759.14 | J/mol×K | 898.51 | Joback Calculated Property |
| Cp,gas | 769.16 | J/mol×K | 931.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Serine, N,O-bis(pivaloyl)-, methyl 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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