- InChI
- InChI=1S/C27H51NO4/c1-4-7-9-11-13-15-17-18-20-23-31-26(29)25(22-6-3)28-27(30)32-24-21-19-16-14-12-10-8-5-2/h6,25H,3-5,7-24H2,1-2H3,(H,28,30)
- InChI Key
- WXJKMFVQYRXKDL-UHFFFAOYSA-N
- Formula
- C27H51NO4
- SMILES
-
C=CCC(N=C(O)OCCCCCCCCCC)C(=O)O
CCCCCCCCCCC - Molecular Weight1
- 453.70
- 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 | 1.3830 | Relay (... Calculated Property | |
| ΔfG° | -144.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1106.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 140.22 | kJ/mol | Relay (... Calculated Property |
| IE | 9.32 | eV | Relay (... Calculated Property |
| log10WS | -7.10 | Relay (... Calculated Property | |
| logPoct/wat | 8.076 | Crippen Calculated Property | |
| McVol | 411.850 | ml/mol | McGowan Calculated Property |
| Pc | 715.30 | kPa | Joback Calculated Property |
| Inp | [3033.00; 3033.00] |
|
|
| Inp | 3033.00 | NIST | |
| Inp | 3033.00 | NIST | |
| Tboil | 683.82 | K | Relay (... Calculated Property |
| Tc | 868.32 | K | Relay (... Calculated Property |
| Tfus | 323.97 | K | Relay (... Calculated Property |
| Vc | 1.518 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Aminopent-4-enoic acid, N-decyloxycarbonyl-, undecyl 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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