- InChI
- InChI=1S/C15H15NO/c17-15(13-9-10-13,12-6-2-1-3-7-12)14-8-4-5-11-16-14/h1-8,11,13,17H,9-10H2
- InChI Key
- WGVFBOHQHCQWHG-UHFFFAOYSA-N
- Formula
- C15H15NO
- SMILES
- OC(c1ccccc1)(c1ccccn1)C1CC1
- Molecular Weight1
- 225.29
- CAS
- 75343-53-2
- 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 | 0.6566 | Relay (... Calculated Property | |
| ΔfG° | 185.61 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 136.44 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 88.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -2.31 | Relay (... Calculated Property | |
| logPoct/wat | 2.728 | Crippen Calculated Property | |
| McVol | 179.680 | ml/mol | McGowan Calculated Property |
| Pc | 2631.21 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 588.74 | K | Relay (... Calculated Property |
| Tc | 895.92 | K | Relay (... Calculated Property |
| Tfus | 354.35 | K | Relay (... Calculated Property |
| Vc | 0.655 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to A-cyclopropyl-a-(2-pyridyl) benzyl alcohol.
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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