- InChI
- InChI=1S/C18H39BO3/c1-4-7-10-13-16-20-19(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
- InChI Key
- KDQYHGMMZKMQAA-UHFFFAOYSA-N
- Formula
- C18H39BO3
- SMILES
- CCCCCCOB(OCCCCCC)OCCCCCC
- Molecular Weight1
- 314.31
- CAS
- 5337-36-0
- Other Names
-
- Hexyl orthoborate
- Trihexyl borate
- Hexyl borate, tri-
- Tri-n-hexyl borate
- 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 | 0.9470 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -970.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.762 | Crippen Calculated Property | |
| Pc | 1352.09 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 578.71 | K | Relay (1.0) Calculated Property |
| Tc | 733.59 | K | Relay (1.0) Calculated Property |
| Tfus | 234.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.159 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Boric acid, trihexyl ester.
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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