- InChI
- InChI=1S/C20H39NO4/c1-5-8-10-11-12-14-24-19(22)15-17(4)21-20(23)25-16-18(7-3)13-9-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)
- InChI Key
- JYHYMOLFZFXDTE-UHFFFAOYSA-N
- Formula
- C20H39NO4
- SMILES
-
CCCCCCCOC(=O)CC(C)N=C(O)OCC(CC
)CCCC - Molecular Weight1
- 357.53
- 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 | 1.1295 | Relay (... Calculated Property | |
| ΔfG° | -272.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1106.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 115.71 | kJ/mol | Relay (... Calculated Property |
| IE | 9.20 | eV | Relay (... Calculated Property |
| log10WS | -4.67 | Relay (... Calculated Property | |
| logPoct/wat | 5.426 | Crippen Calculated Property | |
| McVol | 317.520 | ml/mol | McGowan Calculated Property |
| Pc | 1039.91 | kPa | Joback Calculated Property |
| Inp | [2399.00; 2399.00] |
|
|
| Inp | 2399.00 | NIST | |
| Inp | 2399.00 | NIST | |
| Tboil | 608.83 | K | Relay (... Calculated Property |
| Tc | 811.38 | K | Relay (... Calculated Property |
| Tfus | 275.29 | K | Relay (... Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, heptyl 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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