- InChI
- InChI=1S/C23H43NO/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/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
- InChI Key
- PPSREOHNKFETQU-LVZFUZTISA-N
- Formula
- C23H43NO
- SMILES
-
CCCCCCCCCCCCCCCC=CC(=O)N1CCCCC
1 - Molecular Weight1
- 349.59
- CAS
- 74267-81-5
- 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 | 0.9420 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -527.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.036 | Crippen Calculated Property | |
| McVol | 331.320 | ml/mol | McGowan Calculated Property |
| Pc | 829.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2893.70; 2893.70] |
|
|
| Inp | 2893.70 | NIST | |
| Inp | 2893.70 | NIST | |
| Tboil | 640.80 | K | Relay (1.0) Calculated Property |
| Tc | 868.63 | K | Relay (1.0) Calculated Property |
| Tfus | 321.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.239 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(Piperidin-1-yl)octadec-2-en-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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