- InChI
- InChI=1S/C24H47NO4/c1-5-8-10-11-12-13-14-15-16-18-28-23(26)19-21(4)25-24(27)29-20-22(7-3)17-9-6-2/h21-22H,5-20H2,1-4H3,(H,25,27)
- InChI Key
- AKGHEMYFECZURY-UHFFFAOYSA-N
- Formula
- C24H47NO4
- SMILES
-
CCCCCCCCCCCOC(=O)CC(C)N=C(O)OC
C(CC)CCCC - Molecular Weight1
- 413.63
- 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 | 1.2705 | Relay (... Calculated Property | |
| ΔfG° | -237.97 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1186.43 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 131.25 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -5.93 | Relay (... Calculated Property | |
| logPoct/wat | 6.986 | Crippen Calculated Property | |
| McVol | 373.880 | ml/mol | McGowan Calculated Property |
| Pc | 823.37 | kPa | Joback Calculated Property |
| Inp | [2782.00; 2782.00] |
|
|
| Inp | 2782.00 | NIST | |
| Inp | 2782.00 | NIST | |
| Tboil | 636.66 | K | Relay (... Calculated Property |
| Tc | 843.52 | K | Relay (... Calculated Property |
| Tfus | 292.73 | K | Relay (... Calculated Property |
| Vc | 1.383 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 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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