- InChI
- InChI=1S/C13H17NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-11H2
- InChI Key
- VOIKTEMGYNKRTL-UHFFFAOYSA-N
- Formula
- C13H17NO
- SMILES
- O=C(CN1CCCCC1)c1ccccc1
- Molecular Weight1
- 203.28
- CAS
- 3626-62-8
- Other Names
-
- 1-(Phenacyl)piperidine
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4983 | Relay (... Calculated Property | |
| ΔfG° | 131.41 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -72.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.91 | kJ/mol | Relay (... Calculated Property |
| IE | 7.97 | eV | Relay (... Calculated Property |
| log10WS | -1.56 | Relay (... Calculated Property | |
| logPoct/wat | 2.355 | Crippen Calculated Property | |
| McVol | 170.960 | ml/mol | McGowan Calculated Property |
| Pc | 2435.59 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 580.10 | K | Relay (... Calculated Property |
| Tc | 810.74 | K | Relay (... Calculated Property |
| Tfus | 339.21 | K | Relay (... Calculated Property |
| Vc | 0.612 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [47.20; 51.40] | kJ/mol | [413.50; 416.00] | 
|
| ΔvapH | 51.40 | kJ/mol | 413.50 | NIST |
| ΔvapH | 47.20 | kJ/mol | 416.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Phenyl-1-(piperidin-1-yl)ethanone.
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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