- InChI
- InChI=1S/C18H30O3Si/c1-17(2,3)13-10-12(16(20)21-22(7,8)9)11-14(15(13)19)18(4,5)6/h10-11,19H,1-9H3
- InChI Key
- BJZSPZOYHFAVJV-UHFFFAOYSA-N
- Formula
- C18H30O3Si
- SMILES
-
CC(C)(C)c1cc(C(=O)O[Si](C)(C)C
)cc(C(C)(C)C)c1O - Molecular Weight1
- 322.51
- Other Names
-
- 3,5-Di-tert-butyl-4-hydroxybenzoic acid, tms derivative
- 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 | 0.7981 | Relay (... Calculated Property | |
| ΔfG° | -227.80 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -802.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 85.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -4.92 | Relay (... Calculated Property | |
| logPoct/wat | 4.979 | Crippen Calculated Property | |
| Pc | 1378.15 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1925.50 | NIST | |
| Tboil | 566.65 | K | Relay (... Calculated Property |
| Tc | 813.85 | K | Relay (... Calculated Property |
| Tfus | 378.17 | K | Relay (... Calculated Property |
| Vc | 1.061 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Di-tert-butyl-4-hydroxybenzoic acid, trimethylsilyl 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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