- InChI
- InChI=1S/C17H13FN2O/c18-16-8-6-14(7-9-16)17(21,13-4-2-1-3-5-13)15-10-19-12-20-11-15/h1-12,21H
- InChI Key
- SJIBRANLJCPUBV-UHFFFAOYSA-N
- Formula
- C17H13FN2O
- SMILES
-
OC(c1ccccc1)(c1ccc(F)cc1)c1cnc
nc1 - Molecular Weight1
- 280.30
- 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).
- 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 | 0.7217 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 45.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.900 | Crippen Calculated Property | |
| McVol | 206.710 | ml/mol | McGowan Calculated Property |
| Pc | 2710.19 | kPa | Relay (1.0-beta) Calculated Property |
| I | 3574.00 | NIST | |
| Tboil | 619.68 | K | Relay (1.0) Calculated Property |
| Tc | 992.65 | K | Relay (1.0) Calculated Property |
| Tfus | 378.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenyl-(4-fluorophenyl)-(5-pyrimidinyl)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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