- InChI
- InChI=1S/C17H31NO/c1-2-3-4-5-6-7-8-9-11-14-17(19)18-15-12-10-13-16-18/h11,14H,2-10,12-13,15-16H2,1H3/b14-11+
- InChI Key
- VTWDGOQFLZYOQR-SDNWHVSQSA-N
- Formula
- C17H31NO
- SMILES
- CCCCCCCCCC=CC(=O)N1CCCCC1
- Molecular Weight1
- 265.43
- CAS
- 147030-03-3
- 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 | 0.7283 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.17 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -397.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.696 | Crippen Calculated Property | |
| McVol | 246.780 | ml/mol | McGowan Calculated Property |
| Pc | 1429.75 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | [2247.00; 2266.30] |
|
|
| Inp | 2266.30 | NIST | |
| Inp | 2247.00 | NIST | |
| Tboil | 601.68 | K | Relay (1.0) Calculated Property |
| Tc | 820.89 | K | Relay (1.0) Calculated Property |
| Tfus | 303.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(Piperidin-1-yl)dodec-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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