- InChI
- InChI=1S/C13H17ClN2O/c1-10(17)15-12-9-11(14)5-6-13(12)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
- InChI Key
- MNQXXDBLEOCASW-UHFFFAOYSA-N
- Formula
- C13H17ClN2O
- SMILES
- CC(=O)Nc1cc(Cl)ccc1N1CCCCC1
- Molecular Weight1
- 252.74
- CAS
- 116495-98-8
- 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 | 0.6353 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -220.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.289 | Crippen Calculated Property | |
| McVol | 193.180 | ml/mol | McGowan Calculated Property |
| Pc | 2790.06 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 622.95 | K | Relay (1.0) Calculated Property |
| Tc | 893.92 | K | Relay (1.0) Calculated Property |
| Tfus | 367.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-2-piperidyl-acetanilide.
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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