- InChI
- InChI=1S/C26H49NO4/c1-5-9-11-12-13-14-15-16-17-18-21-30-25(28)24(19-7-3)27-26(29)31-22-23(8-4)20-10-6-2/h7,23-24H,3,5-6,8-22H2,1-2,4H3,(H,27,29)
- InChI Key
- QHHDXDGJFAJGOM-UHFFFAOYSA-N
- Formula
- C26H49NO4
- SMILES
-
C=CCC(N=C(O)OCC(CC)CCCC)C(=O)O
CCCCCCCCCCCC - Molecular Weight1
- 439.67
- 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 | 1.2894 | Relay (... Calculated Property | |
| ΔfG° | -152.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1101.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 133.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.17 | eV | Relay (... Calculated Property |
| log10WS | -6.59 | Relay (... Calculated Property | |
| logPoct/wat | 7.542 | Crippen Calculated Property | |
| McVol | 397.760 | ml/mol | McGowan Calculated Property |
| Pc | 756.82 | kPa | Joback Calculated Property |
| Inp | [2863.00; 2863.00] |
|
|
| Inp | 2863.00 | NIST | |
| Inp | 2863.00 | NIST | |
| Tboil | 679.34 | K | Relay (... Calculated Property |
| Tc | 861.50 | K | Relay (... Calculated Property |
| Tfus | 288.09 | K | Relay (... Calculated Property |
| Vc | 1.431 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, dodecyl 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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