- InChI
- InChI=1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3
- InChI Key
- CCDBCHAQIXKJCG-UHFFFAOYSA-N
- Formula
- C8H15NO
- SMILES
- CC(C)N1CCC(=O)CC1
- Molecular Weight1
- 141.21
- CAS
- 5355-68-0
- Other Names
-
- 1-Isopropyl-4-piperidone
- 4-Piperidinone, 1-(1-methylethyl)-
- 4-Piperidone, 1-isopropyl-
- 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 | 0.3960 | Relay (1.0) Calculated Property | |
| ΔfG° | 2.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -195.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.060 | Crippen Calculated Property | |
| McVol | 124.270 | ml/mol | McGowan Calculated Property |
| Pc | 3074.09 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 473.93 | K | Relay (1.0) Calculated Property |
| Tc | 678.91 | K | Relay (1.0) Calculated Property |
| Tfus | 298.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Isopropyl-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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