- InChI
- InChI=1S/C21H39NO4/c1-4-7-9-11-13-15-18-26-21(24)22-19(16-6-3)20(23)25-17-14-12-10-8-5-2/h6,19H,3-5,7-18H2,1-2H3,(H,22,24)
- InChI Key
- SIGUYTDXYITCOO-UHFFFAOYSA-N
- Formula
- C21H39NO4
- SMILES
-
C=CCC(N=C(O)OCCCCCCCC)C(=O)OCC
CCCCC - Molecular Weight1
- 369.54
- 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 | 1.1717 | Relay (... Calculated Property | |
| ΔfG° | -192.54 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -983.82 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 116.48 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -5.23 | Relay (... Calculated Property | |
| logPoct/wat | 5.736 | Crippen Calculated Property | |
| McVol | 327.310 | ml/mol | McGowan Calculated Property |
| Pc | 999.54 | kPa | Joback Calculated Property |
| Inp | [2412.00; 2412.00] |
|
|
| Inp | 2412.00 | NIST | |
| Inp | 2412.00 | NIST | |
| Tboil | 642.67 | K | Relay (... Calculated Property |
| Tc | 824.23 | K | Relay (... Calculated Property |
| Tfus | 303.39 | K | Relay (... Calculated Property |
| Vc | 1.190 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Aminopent-4-enoic acid, N-octyloxycarbonyl-, 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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