- InChI
- InChI=1S/C17H19BrO3Si/c1-22(2,13-14-6-4-3-5-7-14)21-17(19)12-20-16-10-8-15(18)9-11-16/h3-11H,12-13H2,1-2H3
- InChI Key
- YCYOSUPXHRYERA-UHFFFAOYSA-N
- Formula
- C17H19BrO3Si
- SMILES
-
C[Si](C)(Cc1ccccc1)OC(=O)COc1c
cc(Br)cc1 - Molecular Weight1
- 379.32
- 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 | 0.7140 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -444.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.358 | Crippen Calculated Property | |
| Pc | 1596.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2392.00 | NIST | |
| Tboil | 664.05 | K | Relay (1.0) Calculated Property |
| Tc | 887.19 | K | Relay (1.0) Calculated Property |
| Tfus | 343.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.919 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromophenoxyacetic acid, benzyldimethylsilyl 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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