- InChI
- InChI=1S/C15H27NO4/c1-3-5-6-7-8-9-13-19-14(17)10-11-16-15(18)20-12-4-2/h4H,2-3,5-13H2,1H3,(H,16,18)
- InChI Key
- HCHFINCKDLABDU-UHFFFAOYSA-N
- Formula
- C15H27NO4
- SMILES
- C=CCOC(O)=NCCC(=O)OCCCCCCCC
- Molecular Weight1
- 285.38
- 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 | 1.0240 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -857.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.397 | Crippen Calculated Property | |
| McVol | 242.770 | ml/mol | McGowan Calculated Property |
| Pc | 1485.00 | kPa | Joback Calculated Property |
| Inp | [2055.00; 2055.00] |
|
|
| Inp | 2055.00 | NIST | |
| Inp | 2055.00 | NIST | |
| Tboil | 610.44 | K | Relay (1.0) Calculated Property |
| Tc | 783.26 | K | Relay (1.0) Calculated Property |
| Tfus | 298.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.882 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-allyloxycarbonyl-, octyl 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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