- InChI
- InChI=1S/C12H27BO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
- InChI Key
- LHJSLDBKUGXPMI-UHFFFAOYSA-N
- Formula
- C12H27BO3
- SMILES
- CC(C)COB(OCC(C)C)OCC(C)C
- Molecular Weight1
- 230.15
- CAS
- 13195-76-1
- Other Names
-
- Boric acid (H3BO3), triisobutyl ester
- Triisobutyl borate
- tri-i-Butylborate
- Boric acid, triisobutyl ester
- Isobutyl borate, (C4H9O)3B
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 53.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.989 | Crippen Calculated Property | |
| Tboil | 486.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 51.70 | kJ/mol | 422.00 | NIST |
Similar Compounds
Find more compounds similar to Boric acid, tris(2-methylpropyl) 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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