- InChI
- InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
- InChI Key
- ABGXADJDTPFFSZ-UHFFFAOYSA-N
- Formula
- C12H17N
- SMILES
- c1ccc(CC2CCNCC2)cc1
- Molecular Weight1
- 175.27
- CAS
- 31252-42-3
- Other Names
-
- 4-(Phenylmethyl)piperidine
- Piperidine, 4-(phenylmethyl)-
- Piperidine, 4-benzyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 22.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.20 ± 1.00 | kJ/mol | NIST |
| log10WS | -1.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 155.300 | ml/mol | McGowan Calculated Property |
| Tboil | 552.20 | K | NIST |
| Tfus | 279.50 ± 0.50 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 |
|---|---|---|---|---|
| Cp,gas | [381.43; 485.85] | J/mol×K | [568.94; 813.83] | 
|
| Cp,gas | 381.43 | J/mol×K | 568.94 | Joback Calculated Property |
| Cp,gas | 402.29 | J/mol×K | 609.76 | Joback Calculated Property |
| Cp,gas | 421.68 | J/mol×K | 650.57 | Joback Calculated Property |
| Cp,gas | 439.68 | J/mol×K | 691.39 | Joback Calculated Property |
| Cp,gas | 456.34 | J/mol×K | 732.20 | Joback Calculated Property |
| Cp,gas | 471.71 | J/mol×K | 773.02 | Joback Calculated Property |
| Cp,gas | 485.85 | J/mol×K | 813.83 | Joback Calculated Property |
| ΔvapH | 72.40 | kJ/mol | 298.15 | The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [424.00; 424.20] | K | [2.30; 2.30] |
|
| Tboilr | 424.20 | K | 2.30 | NIST |
| Tboilr | 424.00 ± 1.00 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 4-Benzylpiperidine.
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
- The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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