- InChI
- InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-22/h12-13,15,18H,2-11,14,16-17,19-20H2,1H3/b13-12+,18-15+
- InChI Key
- UKCNPUUVSNIDBR-QOBMTOCASA-N
- Formula
- C21H37NO
- SMILES
- CCCCCCCCCCCC=CC=CC(=O)N1CCCCC1
- Molecular Weight1
- 319.52
- CAS
- 486447-33-0
- 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 | 0.8144 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -413.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.032 | Crippen Calculated Property | |
| McVol | 298.840 | ml/mol | McGowan Calculated Property |
| Pc | 1066.92 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2802.80 | NIST | |
| Tboil | 630.29 | K | Relay (1.0) Calculated Property |
| Tc | 853.70 | K | Relay (1.0) Calculated Property |
| Tfus | 346.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.082 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (2E,4E)-1-(Piperidin-1-yl)hexadeca-2,4-dien-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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