- 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-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- 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 | 0.4249 | Relay (1.0) Calculated Property | |
| ΔfG° | 274.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 62.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.20 ± 1.00 | kJ/mol | NIST |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 155.300 | ml/mol | McGowan Calculated Property |
| Pc | 3055.79 | kPa | Joback Calculated Property |
| Tboil | 552.20 | K | NIST |
| Tc | 770.34 | K | Relay (1.0) Calculated Property |
| Tfus | 279.50 ± 0.50 | K | NIST |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.33; 485.75] | J/mol×K | [568.74; 813.54] | 
|
| Cp,gas | 381.33 | J/mol×K | 568.74 | Joback Calculated Property |
| Cp,gas | 402.18 | J/mol×K | 609.54 | Joback Calculated Property |
| Cp,gas | 421.58 | J/mol×K | 650.34 | Joback Calculated Property |
| Cp,gas | 439.58 | J/mol×K | 691.14 | Joback Calculated Property |
| Cp,gas | 456.24 | J/mol×K | 731.94 | Joback Calculated Property |
| Cp,gas | 471.61 | J/mol×K | 772.74 | Joback Calculated Property |
| Cp,gas | 485.75 | J/mol×K | 813.54 | 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)
- 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
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