- InChI
- InChI=1S/C11H15BrO3Si/c1-16(2,3)15-11(13)8-14-10-6-4-9(12)5-7-10/h4-7H,8H2,1-3H3
- InChI Key
- ILLFIXLGYJSDJJ-UHFFFAOYSA-N
- Formula
- C11H15BrO3Si
- SMILES
-
C[Si](C)(C)OC(=O)COc1ccc(Br)cc
1 - Molecular Weight1
- 303.23
- Other Names
-
- 4-Bromophenoxyacetic 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 | 0.6073 | Relay (... Calculated Property | |
| ΔfG° | -255.59 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -573.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -3.81 | Relay (... Calculated Property | |
| logPoct/wat | 3.206 | Crippen Calculated Property | |
| Pc | 1832.78 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1712.00; 1712.00] |
|
|
| Inp | 1712.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Tboil | 580.26 | K | Relay (... Calculated Property |
| Tc | 764.08 | K | Relay (... Calculated Property |
| Tfus | 335.08 | K | Relay (... Calculated Property |
| Vc | 0.717 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromophenoxyacetic 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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