- InChI
- InChI=1S/C20H39NO3/c1-3-5-7-9-10-12-14-18-24-20(23)16-17-21-19(22)15-13-11-8-6-4-2/h3-18H2,1-2H3,(H,21,22)
- InChI Key
- JKHDYLJCIZHMEW-UHFFFAOYSA-N
- Formula
- C20H39NO3
- SMILES
- CCCCCCCCCOC(=O)CCN=C(O)CCCCCCC
- Molecular Weight1
- 341.53
- 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 | 1.1730 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -894.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.987 | Crippen Calculated Property | |
| McVol | 311.650 | ml/mol | McGowan Calculated Property |
| Pc | 1040.58 | kPa | Joback Calculated Property |
| Inp | [2579.00; 2579.00] |
|
|
| Inp | 2579.00 | NIST | |
| Inp | 2579.00 | NIST | |
| Tboil | 637.30 | K | Relay (1.0) Calculated Property |
| Tc | 824.56 | K | Relay (1.0) Calculated Property |
| Tfus | 360.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.185 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-capryloyl-, nonyl 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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