- InChI
- InChI=1S/C15H23NO4/c1-4-7-9-12-19-14(17)13(10-6-3)16-15(18)20-11-8-5-2/h6,13H,3-4,7,9-12H2,1-2H3,(H,16,18)
- InChI Key
- LHQLYVQTABMKET-UHFFFAOYSA-N
- Formula
- C15H23NO4
- SMILES
- C=CCC(N=C(O)OCC#CC)C(=O)OCCCCC
- Molecular Weight1
- 281.35
- 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 | 0.8469 | Relay (... Calculated Property | |
| ΔfG° | -98.27 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -615.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.99 | eV | Relay (... Calculated Property |
| log10WS | -3.06 | Relay (... Calculated Property | |
| logPoct/wat | 2.618 | Crippen Calculated Property | |
| McVol | 234.170 | ml/mol | McGowan Calculated Property |
| Pc | 1697.70 | kPa | Joback Calculated Property |
| Inp | [1977.00; 1977.00] |
|
|
| Inp | 1977.00 | NIST | |
| Inp | 1977.00 | NIST | |
| Tboil | 588.08 | K | Relay (... Calculated Property |
| Tc | 781.43 | K | Relay (... Calculated Property |
| Tfus | 306.50 | K | Relay (... Calculated Property |
| Vc | 0.792 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, pentyl 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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