- InChI
- InChI=1S/C18H14ClNO/c19-17-10-8-15(9-11-17)18(21,14-5-2-1-3-6-14)16-7-4-12-20-13-16/h1-13,21H
- InChI Key
- GMUXFNGMJVMSHJ-UHFFFAOYSA-N
- Formula
- C18H14ClNO
- SMILES
-
OC(c1ccccc1)(c1ccc(Cl)cc1)c1cc
cnc1 - Molecular Weight1
- 295.76
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.7153 | Relay (1.0) Calculated Property | |
| ΔfG° | 245.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 163.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.019 | Crippen Calculated Property | |
| McVol | 221.290 | ml/mol | McGowan Calculated Property |
| Pc | 2479.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2610.00 | NIST | |
| I | 4102.00 | NIST | |
| Tboil | 641.75 | K | Relay (1.0) Calculated Property |
| Tc | 1004.72 | K | Relay (1.0) Calculated Property |
| Tfus | 371.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.781 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenyl-(4-chlorophenyl)-(3-pyridyl)carbinol.
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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