- InChI
- InChI=1S/C21H41NO4/c1-4-6-8-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22-21(24)26-17-7-5-2/h19H,4-18H2,1-3H3,(H,22,24)
- InChI Key
- WTNHRUBZHZLDSY-UHFFFAOYSA-N
- Formula
- C21H41NO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)N=C(O)O
CCCC - Molecular Weight1
- 371.55
- 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 | 1.2220 | Relay (... Calculated Property | |
| ΔfG° | -266.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1094.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 123.48 | kJ/mol | Relay (... Calculated Property |
| IE | 9.27 | eV | Relay (... Calculated Property |
| log10WS | -5.44 | Relay (... Calculated Property | |
| logPoct/wat | 5.960 | Crippen Calculated Property | |
| McVol | 331.610 | ml/mol | McGowan Calculated Property |
| Pc | 973.52 | kPa | Joback Calculated Property |
| Inp | [2515.00; 2515.00] |
|
|
| Inp | 2515.00 | NIST | |
| Inp | 2515.00 | NIST | |
| Tboil | 614.20 | K | Relay (... Calculated Property |
| Tc | 818.41 | K | Relay (... Calculated Property |
| Tfus | 325.85 | K | Relay (... Calculated Property |
| Vc | 1.254 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-butoxycarbonyl-, tridecyl 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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