- InChI
- InChI=1S/C22H43NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-21(24)20(3)23-22(25)26-5-2/h20H,4-19H2,1-3H3,(H,23,25)
- InChI Key
- MUGABKIZWOIKQE-UHFFFAOYSA-N
- Formula
- C22H43NO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)N=C(
O)OCC - Molecular Weight1
- 385.58
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2478 | Relay (... Calculated Property | |
| ΔfG° | -250.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1117.64 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 131.58 | kJ/mol | Relay (... Calculated Property |
| IE | 9.32 | eV | Relay (... Calculated Property |
| log10WS | -5.90 | Relay (... Calculated Property | |
| logPoct/wat | 6.350 | Crippen Calculated Property | |
| McVol | 345.700 | ml/mol | McGowan Calculated Property |
| Pc | 917.72 | kPa | Joback Calculated Property |
| Inp | [2623.00; 2623.00] |
|
|
| Inp | 2623.00 | NIST | |
| Inp | 2623.00 | NIST | |
| Tboil | 623.57 | K | Relay (... Calculated Property |
| Tc | 824.21 | K | Relay (... Calculated Property |
| Tfus | 339.57 | K | Relay (... Calculated Property |
| Vc | 1.310 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, hexadecyl 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
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