- InChI
- InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2
- InChI Key
- ZMISODWVFHHWNR-UHFFFAOYSA-N
- Formula
- C18H21NO
- SMILES
- OC(c1ccccc1)(c1ccccc1)C1CCNCC1
- Molecular Weight1
- 267.37
- CAS
- 115-46-8
- Other Names
-
- 4-(Diphenylhydroxymethyl)piperidine
- 4-Piperidinemethanol, «alpha»,«alpha»-diphenyl-
- 4-Piperidinemethanol, «alpha»,«alpha»-diphenyl-
- Ataractan
- Azacyclonal
- Azacyklonol
- Calmeran
- Diphenyl-4-piperidylmethanol
- Frenoton
- Frenquel
- MER 17
- Psychosan
- di(phenyl)-piperidin-4-ylmethanol
- «alpha»,«alpha»-Diphenyl-4-piperidinemethanol
- «alpha»-(4-Piperidyl)benzhydrol
- «gamma»-Pipradol
- «alpha»,«alpha»-Diphenyl-4-piperidinemethanol
- «alpha»-(4-Piperidyl)benzhydrol
- «gamma»-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 | 0.7041 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.39 | Aq. Solubility Prediction | |
| logPoct/wat | 2.922 | Crippen Calculated Property | |
| McVol | 221.950 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | [2220.00; 2243.00] |
|
|
| Inp | 2220.00 | NIST | |
| Inp | 2243.00 | NIST | |
| Inp | 2243.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 636.71 | K | Relay (1.0) Calculated Property |
| Tc | 936.68 | K | Relay (1.0) Calculated Property |
| Tfus | 433.32 | K | Aq. Solubility Prediction |
| Vc | 0.766 | 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 Azacyclonol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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