- InChI
- InChI=1S/C23H45NO/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/h2-22H2,1H3
- InChI Key
- MFZHIRGDMBVSTF-UHFFFAOYSA-N
- Formula
- C23H45NO
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)N1CCCCC1
- Molecular Weight1
- 351.61
- CAS
- 4629-04-3
- 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 | 0.9900 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -616.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.260 | Crippen Calculated Property | |
| McVol | 335.620 | ml/mol | McGowan Calculated Property |
| Pc | 782.75 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2841.20; 2841.20] |
|
|
| Inp | 2841.20 | NIST | |
| Inp | 2841.20 | NIST | |
| Tboil | 644.49 | K | Relay (1.0) Calculated Property |
| Tc | 865.30 | K | Relay (1.0) Calculated Property |
| Tfus | 334.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.284 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(Piperidin-1-yl)octadecan-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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