- InChI
- InChI=1S/C18H12BCl3O3/c20-13-1-7-16(8-2-13)23-19(24-17-9-3-14(21)4-10-17)25-18-11-5-15(22)6-12-18/h1-12H
- InChI Key
- JOAZIIBFQMIXJM-UHFFFAOYSA-N
- Formula
- C18H12BCl3O3
- SMILES
-
Clc1ccc(OB(Oc2ccc(Cl)cc2)Oc2cc
c(Cl)cc2)cc1 - Molecular Weight1
- 393.46
- CAS
- 7359-58-2
- Other Names
-
- tris(4-chlorophenoxy)borane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.8205 | Relay (... Calculated Property | |
| ΔfG° | -155.75 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -351.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.06 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -8.19 | Relay (... Calculated Property | |
| logPoct/wat | 6.168 | Crippen Calculated Property | |
| Pc | 1843.64 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 687.11 | K | Relay (... Calculated Property |
| Tc | 983.53 | K | Relay (... Calculated Property |
| Tfus | 331.01 | K | Relay (... Calculated Property |
| Vc | 0.935 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 30.60 ± 0.90 | kJ/mol | 452.00 | NIST |
Similar Compounds
Find more compounds similar to Tris(p-chlorophenyl) borate.
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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