- InChI
- InChI=1S/C54H111BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
- InChI Key
- GZKLCETYSGSMRA-UHFFFAOYSA-N
- Formula
- C54H111BO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOB(OCCCCCCCC
CCCCCCCCCC)OCCCCCCCCCCCCCCCCCC - Molecular Weight1
- 819.27
- CAS
- 5337-41-7
- 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.
- 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 | 2.2073 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1695.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 230.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -16.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 19.806 | Crippen Calculated Property | |
| Tboil | 815.84 | K | Relay (1.0) Calculated Property |
| Tc | 951.49 | K | Relay (1.0) Calculated Property |
| Tfus | 333.22 | K | Relay (1.0) Calculated Property |
| Vc | 3.122 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Trioctadecoxyborane (n).
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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