- InChI
- InChI=1S/C16H15BCl2O3/c1-11-4-2-3-5-16(11)20-9-13-10-21-17(22-13)14-7-6-12(18)8-15(14)19/h2-8,13H,9-10H2,1H3
- InChI Key
- VQSFUHCENLSPKY-UHFFFAOYSA-N
- Formula
- C16H15BCl2O3
- SMILES
-
Cc1ccccc1OCC1COB(c2ccc(Cl)cc2C
l)O1 - Molecular Weight1
- 337.00
- 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).
- Inp : Non-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 | 0.6538 | Relay (1.0) Calculated Property | |
| ΔfG° | -145.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -432.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.491 | Crippen Calculated Property | |
| Pc | 1942.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2420.00; 2420.00] |
|
|
| Inp | 2420.00 | NIST | |
| Inp | 2420.00 | NIST | |
| Tboil | 667.43 | K | Relay (1.0) Calculated Property |
| Tc | 919.12 | K | Relay (1.0) Calculated Property |
| Tfus | 336.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dichlorobenzeneboronate, mephenesin.
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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