- InChI
- InChI=1S/C18H33NO4/c1-5-7-8-9-10-11-13-22-18(21)19-16(12-6-2)17(20)23-14-15(3)4/h6,15-16H,2,5,7-14H2,1,3-4H3,(H,19,21)
- InChI Key
- KIDHKAXOVNGTSO-UHFFFAOYSA-N
- Formula
- C18H33NO4
- SMILES
-
C=CCC(N=C(O)OCCCCCCCC)C(=O)OCC
(C)C - Molecular Weight1
- 327.46
- 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 | 1.0341 | Relay (... Calculated Property | |
| ΔfG° | -227.69 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -942.45 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.65 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -4.24 | Relay (... Calculated Property | |
| logPoct/wat | 4.421 | Crippen Calculated Property | |
| McVol | 285.040 | ml/mol | McGowan Calculated Property |
| Pc | 1216.59 | kPa | Joback Calculated Property |
| Inp | [2109.00; 2109.00] |
|
|
| Inp | 2109.00 | NIST | |
| Inp | 2109.00 | NIST | |
| Tboil | 616.33 | K | Relay (... Calculated Property |
| Tc | 788.08 | K | Relay (... Calculated Property |
| Tfus | 290.02 | K | Relay (... Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Aminopent-4-enoic acid, N-octyloxycarbonyl-, isobutyl 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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