![1-Azabicyclo[2.2.2]octane, 4-phenyl-](/cid/63-933-6/1-Azabicyclo-2-2-2-octane-4-phenyl.png "1-Azabicyclo[2.2.2]octane, 4-phenyl-")
- InChI
- InChI=1S/C13H17N/c1-2-4-12(5-3-1)13-6-9-14(10-7-13)11-8-13/h1-5H,6-11H2
- InChI Key
- CSKNWIPXDBBWRW-UHFFFAOYSA-N
- Formula
- C13H17N
- SMILES
- c1ccc(C23CCN(CC2)CC3)cc1
- Molecular Weight1
- 187.28
- CAS
- 51069-11-5
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.3661 | Relay (1.0) Calculated Property | |
| ΔfG° | 279.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 165.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 ± 0.01 | eV | NIST |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.424 | Crippen Calculated Property | |
| McVol | 158.530 | ml/mol | McGowan Calculated Property |
| Pc | 2919.82 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 557.35 | K | Relay (1.0) Calculated Property |
| Tc | 814.35 | K | Relay (1.0) Calculated Property |
| Tfus | 481.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Azabicyclo[2.2.2]octane, 4-phenyl-.
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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