- InChI
- InChI=1S/C21H41NO3/c1-3-5-7-9-10-11-13-15-19-25-21(24)17-18-22-20(23)16-14-12-8-6-4-2/h3-19H2,1-2H3,(H,22,23)
- InChI Key
- KHCFPBDIEVLIML-UHFFFAOYSA-N
- Formula
- C21H41NO3
- SMILES
-
CCCCCCCCCCOC(=O)CCN=C(O)CCCCCC
C - Molecular Weight1
- 355.56
- 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 | 1.2081 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -914.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.377 | Crippen Calculated Property | |
| McVol | 325.740 | ml/mol | McGowan Calculated Property |
| Pc | 979.01 | kPa | Joback Calculated Property |
| Inp | [2678.00; 2678.00] |
|
|
| Inp | 2678.00 | NIST | |
| Inp | 2678.00 | NIST | |
| Tboil | 643.98 | K | Relay (1.0) Calculated Property |
| Tc | 832.09 | K | Relay (1.0) Calculated Property |
| Tfus | 362.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.241 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-capryloyl-, decyl 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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