- InChI
- InChI=1S/C13H21BrO2Si/c1-13(2,3)17(5,6)16-11-8-7-10(14)9-12(11)15-4/h7-9H,1-6H3
- InChI Key
- QMCJWKWEGJPWMG-UHFFFAOYSA-N
- Formula
- C13H21BrO2Si
- SMILES
-
COc1cc(Br)ccc1O[Si](C)(C)C(C)(
C)C - Molecular Weight1
- 317.29
- Other Names
-
- 4-Bromoguaiacol, tbdms 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 | 0.5445 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -420.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.842 | Crippen Calculated Property | |
| Pc | 1897.39 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1750.50; 1750.50] |
|
|
| Inp | 1750.50 | NIST | |
| Inp | 1750.50 | NIST | |
| Tboil | 576.48 | K | Relay (1.0) Calculated Property |
| Tc | 784.46 | K | Relay (1.0) Calculated Property |
| Tfus | 345.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromoguaiacol, tert-butyldimethylsilyl ether.
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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