- InChI
- InChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
- InChI Key
- LLSKXGRDUPMXLC-UHFFFAOYSA-N
- Formula
- C11H15N
- SMILES
- c1ccc(N2CCCCC2)cc1
- Molecular Weight1
- 161.25
- Other Names
-
- Piperidine, 1-phenyl-
- 1-Phenylpiperidine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 952.90 | kJ/mol | NIST |
| BasG | 926.40 | kJ/mol | NIST |
| ΔvapH° | 64.30 ± 0.40 | kJ/mol | NIST |
| IE | [7.10; 7.72] | eV |
|
| IE | 7.10 | eV | NIST |
| IE | 7.72 ± 0.06 | eV | NIST |
| logPoct/wat | 2.677 | Crippen Calculated Property | |
| McVol | 141.210 | ml/mol | McGowan Calculated Property |
| Tboil | [530.65; 531.20] | K |
|
| Tboil | 531.20 | K | NIST |
| Tboil | 530.65 ± 4.00 | K | NIST |
| Tfus | 273.90 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 64.00 ± 0.40 | kJ/mol | 303.50 | NIST |
Similar Compounds
Find more compounds similar to 1-PHENYLPIPERIDINE.
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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