- InChI
- InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3
- InChI Key
- NNFOVLFUGLWWCL-UHFFFAOYSA-N
- Formula
- C7H11NO2
- SMILES
- CC(=O)N1CCC(=O)CC1
- Molecular Weight1
- 141.17
- CAS
- 32161-06-1
- Other Names
-
- N-Acetyl-4-piperidone
- N-Acetylpiperidone
- 4-Piperidinone, 1-acetyl-
- 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 | 0.4489 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -329.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.198 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3882.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 491.20 | K | NIST |
| Tc | 736.82 | K | Relay (1.0) Calculated Property |
| Tfus | 376.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.386 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Acetyl-4-piperidone.
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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