- InChI
- InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-22/h6-7,12-13,15,18H,2-5,8-11,14,16-17,19-20H2,1H3/b7-6+,13-12+,18-15+
- InChI Key
- MKTHMAHGEGGOMR-PJOYGNGYSA-N
- Formula
- C21H35NO
- SMILES
-
CCCCCC=CCCCCC=CC=CC(=O)N1CCCCC
1 - Molecular Weight1
- 317.51
- CAS
- 943546-16-5
- 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 | 0.7298 | Relay (1.0) Calculated Property | |
| ΔfG° | 238.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -364.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.808 | Crippen Calculated Property | |
| McVol | 294.540 | ml/mol | McGowan Calculated Property |
| Pc | 1118.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2792.30; 2792.30] |
|
|
| Inp | 2792.30 | NIST | |
| Inp | 2792.30 | NIST | |
| Tboil | 635.28 | K | Relay (1.0) Calculated Property |
| Tc | 854.37 | K | Relay (1.0) Calculated Property |
| Tfus | 335.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.029 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (2E,4E,10E)-1-(Piperidin-1-yl)hexadeca-2,4,10-trien-1-one.
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
- McGowan Method
- NIST Webbook
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