- InChI
- InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
- InChI Key
- LBUNNMJLXWQQBY-UHFFFAOYSA-N
- Formula
- C6H6BFO2
- SMILES
- OB(O)c1ccc(F)cc1
- Molecular Weight1
- 139.92
- CAS
- 1765-93-1
- Other Names
-
- Boronic acid, B-(4-fluorophenyl)-
- 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.
- 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 | 0.7629 | Relay (1.0) Calculated Property | |
| ΔfG° | -410.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -599.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.495 | Crippen Calculated Property | |
| Pc | 5329.07 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 508.87 | K | Relay (1.0) Calculated Property |
| Tc | 748.59 | K | Relay (1.0) Calculated Property |
| Tfus | 396.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.351 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorobenzeneboronic acid.
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
- NIST Webbook
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