- InChI
- InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H
- InChI Key
- CENMEJUYOOMFFZ-UHFFFAOYSA-N
- Formula
- C6H5BO2
- SMILES
- B1Oc2ccccc2O1
- Molecular Weight1
- 119.91
- CAS
- 274-07-7
- Other Names
-
- 1,3,2-Benzodioxaborole
- Pyrocatecholborane
- Benzcatechinborane
- Catecholatoborane
- 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 | 0.4247 | Relay (... Calculated Property | |
| ΔfG° | -135.90 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -250.82 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 48.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -2.30 | Relay (... Calculated Property | |
| logPoct/wat | 0.724 | Crippen Calculated Property | |
| Pc | 5065.94 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 437.01 | K | Relay (... Calculated Property |
| Tc | 690.17 | K | Relay (... Calculated Property |
| Tfus | 276.83 | K | Relay (... Calculated Property |
| Vc | 0.331 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Catecholborane.
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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