- InChI
- InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
- InChI Key
- XUWHAWMETYGRKB-UHFFFAOYSA-N
- Formula
- C5H9NO
- SMILES
- O=C1CCCCN1
- Molecular Weight1
- 99.13
- CAS
- 27154-43-4
- Other Names
-
- piperidone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔfG° | -11.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.47 | kJ/mol | Joback Calculated Property |
| log10WS | -0.77 | Crippen Calculated Property | |
| logPoct/wat | 0.287 | Crippen Calculated Property | |
| McVol | 82.000 | ml/mol | McGowan Calculated Property |
| Pc | 5102.04 | kPa | Joback Calculated Property |
| I | [2095.00; 2124.00] |
|
|
| I | 2095.00 | NIST | |
| I | 2124.00 | NIST | |
| Tboil | 454.39 | K | Joback Calculated Property |
| Tc | 692.75 | K | Joback Calculated Property |
| Tfus | 330.98 | K | Joback Calculated Property |
| Ttriple | 342.30 ± 0.01 | K | NIST |
| Vc | 0.293 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.54; 230.64] | J/mol×K | [454.39; 692.75] |
|
| Cp,gas | 160.54 | J/mol×K | 454.39 | Joback Calculated Property |
| Cp,gas | 173.63 | J/mol×K | 494.12 | Joback Calculated Property |
| Cp,gas | 186.19 | J/mol×K | 533.84 | Joback Calculated Property |
| Cp,gas | 198.19 | J/mol×K | 573.57 | Joback Calculated Property |
| Cp,gas | 209.61 | J/mol×K | 613.29 | Joback Calculated Property |
| Cp,gas | 220.43 | J/mol×K | 653.02 | Joback Calculated Property |
| Cp,gas | 230.64 | J/mol×K | 692.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to piperidinone.
Sources
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