- InChI
- InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
- InChI Key
- YXTROGRGRSPWKL-UHFFFAOYSA-N
- Formula
- C12H15NO
- SMILES
- O=C(c1ccccc1)N1CCCCC1
- Molecular Weight1
- 189.25
- CAS
- 776-75-0
- Other Names
-
- Piperidine, 1-benzoyl-
- «alpha»-Repellin
- Benzoic acid piperidide
- Benzoic acid N-piperidide
- Benzoylpiperidine
- LG 20104
- N-Benzoyl piperidine
- N-Benzoylpiperidin
- P 162
- Protectine I
- R 162
- NSC 1992
- NSC 26344
- 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).
- 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 | 0.4871 | Relay (1.0) Calculated Property | |
| ΔfG° | 143.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -117.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | NIST |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.313 | Crippen Calculated Property | |
| McVol | 156.870 | ml/mol | McGowan Calculated Property |
| Pc | 2659.42 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 593.70 | K | NIST |
| Tc | 820.45 | K | Relay (1.0) Calculated Property |
| Tfus | 317.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.562 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Benzoylpiperidine.
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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