- InChI
- InChI=1S/C26H51NO4/c1-5-8-10-11-12-13-14-15-16-17-18-20-30-25(28)21-23(4)27-26(29)31-22-24(7-3)19-9-6-2/h23-24H,5-22H2,1-4H3,(H,27,29)
- InChI Key
- DOKJLQKNADCNTB-UHFFFAOYSA-N
- Formula
- C26H51NO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CC(C)N=C(O)
OCC(CC)CCCC - Molecular Weight1
- 441.69
- 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 | 1.3408 | Relay (... Calculated Property | |
| ΔfG° | -221.43 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1226.27 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 139.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.36 | eV | Relay (... Calculated Property |
| log10WS | -6.56 | Relay (... Calculated Property | |
| logPoct/wat | 7.766 | Crippen Calculated Property | |
| McVol | 402.060 | ml/mol | McGowan Calculated Property |
| Pc | 739.63 | kPa | Joback Calculated Property |
| Inp | [2970.00; 2970.00] |
|
|
| Inp | 2970.00 | NIST | |
| Inp | 2970.00 | NIST | |
| Tboil | 650.15 | K | Relay (... Calculated Property |
| Tc | 857.60 | K | Relay (... Calculated Property |
| Tfus | 300.44 | K | Relay (... Calculated Property |
| Vc | 1.492 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 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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