- InChI
- InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,14-15,17,20H,2-5,8-13,16,18-19,21-22H2,1H3/b7-6+,15-14+,20-17+
- InChI Key
- HFWMTBWJCPVZTO-NMPGFTJCSA-N
- Formula
- C23H39NO
- SMILES
-
CCCCCC=CCCCCCCC=CC=CC(=O)N1CCC
CC1 - Molecular Weight1
- 345.56
- CAS
- 943546-19-8
- 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 | 0.8080 | Relay (1.0) Calculated Property | |
| ΔfG° | 253.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -408.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.588 | Crippen Calculated Property | |
| McVol | 322.720 | ml/mol | McGowan Calculated Property |
| Pc | 916.30 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3014.80; 3014.80] |
|
|
| Inp | 3014.80 | NIST | |
| Inp | 3014.80 | NIST | |
| Tboil | 648.11 | K | Relay (1.0) Calculated Property |
| Tc | 870.67 | K | Relay (1.0) Calculated Property |
| Tfus | 337.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.138 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (2E,4E,12E)-1-(Piperidin-1-yl)octadeca-2,4,12-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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