- InChI
- InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2
- InChI Key
- XSWHNYGMWWVAIE-UHFFFAOYSA-N
- Formula
- C18H21NO
- SMILES
- OC(c1ccccc1)(c1ccccc1)C1CCCCN1
- Molecular Weight1
- 267.37
- CAS
- 467-60-7
- Other Names
-
- 2-Piperidinemethanol, «alpha»,«alpha»-diphenyl-
- 2-Piperidinemethanol, «alpha»,«alpha»-diphenyl-
- A-(2-piperidyl)-benzohydrol
- Detaril
- Gerodyl
- MRD 108
- Pipradol
- Pipralon
- Piridrol
- Pyridrol
- Pyridrole
- alpha-(2-Piperidyl)-benzohydrol
- alpha-Pipradol
- di(phenyl)-piperidin-2-ylmethanol
- «alpha»,«alpha»-Diphenyl-2-piperidinemethanol
- «alpha»,«alpha»-Diphenyl-«alpha»-(2-piperidyl)methanol
- «alpha»-(2-Piperidyl)benzhydrol
- «alpha»-Pipradol
- «alpha»,«alpha»-Diphenyl-2-piperidinemethanol
- «alpha»,«alpha»-Diphenyl-«alpha»-(2-piperidyl)methanol
- «alpha»-(2-Piperidyl)benzhydrol
- «alpha»-Pipradol
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6979 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 56.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.90 | Aq. Solubility Prediction | |
| logPoct/wat | 3.065 | Crippen Calculated Property | |
| McVol | 221.950 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | [2145.00; 2185.00] |
|
|
| Inp | 2170.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Inp | 2145.00 | NIST | |
| Tboil | 628.78 | K | Relay (1.0) Calculated Property |
| Tc | 937.07 | K | Relay (1.0) Calculated Property |
| Tfus | 416.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.83; 766.35] | J/mol×K | [821.65; 1072.96] |
|
| Cp,gas | 685.83 | J/mol×K | 821.65 | Joback Calculated Property |
| Cp,gas | 702.58 | J/mol×K | 863.54 | Joback Calculated Property |
| Cp,gas | 717.81 | J/mol×K | 905.42 | Joback Calculated Property |
| Cp,gas | 731.66 | J/mol×K | 947.31 | Joback Calculated Property |
| Cp,gas | 744.28 | J/mol×K | 989.19 | Joback Calculated Property |
| Cp,gas | 755.80 | J/mol×K | 1031.08 | Joback Calculated Property |
| Cp,gas | 766.35 | J/mol×K | 1072.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pipradrol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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