- InChI
- InChI=1S/C20H37NO3/c1-4-5-6-7-8-9-10-11-12-13-16-24-20(23)14-15-21-19(22)17-18(2)3/h17H,4-16H2,1-3H3,(H,21,22)
- InChI Key
- VTDIKYPZGKKGBZ-UHFFFAOYSA-N
- Formula
- C20H37NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CCN=C(O)C=C(
C)C - Molecular Weight1
- 339.51
- 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 | 1.1289 | Relay (... Calculated Property | |
| ΔfG° | -142.15 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -816.10 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 121.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -5.65 | Relay (... Calculated Property | |
| logPoct/wat | 5.763 | Crippen Calculated Property | |
| McVol | 307.350 | ml/mol | McGowan Calculated Property |
| Pc | 1079.93 | kPa | Joback Calculated Property |
| Inp | 2587.00 | NIST | |
| Tboil | 633.54 | K | Relay (... Calculated Property |
| Tc | 832.05 | K | Relay (... Calculated Property |
| Tfus | 373.89 | K | Relay (... Calculated Property |
| Vc | 1.141 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-methylbut-2-enoyl)-, dodecyl 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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