- InChI
- InChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
- InChI Key
- BDVKAMAALQXGLM-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- CCN1CCC(=O)CC1
- Molecular Weight1
- 127.18
- CAS
- 3612-18-8
- Other Names
-
- 4-Piperidinone, 1-ethyl-
- 1-ethylpiperidin-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 | 0.3889 | Relay (1.0) Calculated Property | |
| ΔfG° | 2.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -172.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.70 ± 0.60 | kJ/mol | NIST |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.671 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 3502.13 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 460.53 | K | Relay (1.0) Calculated Property |
| Tc | 665.96 | K | Relay (1.0) Calculated Property |
| Tfus | 283.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 320.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 1-Ethyl-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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