- InChI
- InChI=1S/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H2
- InChI Key
- NZAXGZYPZGEVBD-UHFFFAOYSA-N
- Formula
- C12H13NO2
- SMILES
- O=C1CCN(C(=O)c2ccccc2)CC1
- Molecular Weight1
- 203.24
- CAS
- 24686-78-0
- Other Names
-
- 1-Benzoyl-4-oxopiperidine
- 1-Benzoyl-4-piperidinone
- N-Benzoyl-4-piperidone
- 1-Benzoyl-4-piperidone
- 4-Piperidone, 1-benzoyl-
- 1-Benzoyl-piperidinoine
- 1-Benzoyl-piperidin-4-one
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5465 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -174.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 158.440 | ml/mol | McGowan Calculated Property |
| Pc | 2762.36 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 606.77 | K | Relay (1.0) Calculated Property |
| Tc | 845.20 | K | Relay (1.0) Calculated Property |
| Tfus | 376.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 432.20 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to 4-Piperidinone, 1-benzoyl-.
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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