- InChI
- InChI=1S/C12H18BrFOSi/c1-4-5-8-16(2,3)15-12-7-6-10(14)9-11(12)13/h6-7,9H,4-5,8H2,1-3H3
- InChI Key
- VXSGRKFUGLRLRY-UHFFFAOYSA-N
- Formula
- C12H18BrFOSi
- SMILES
- CCCC[Si](C)(C)Oc1ccc(F)cc1Br
- Molecular Weight1
- 305.26
- 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 | 0.5491 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -460.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.972 | Crippen Calculated Property | |
| Pc | 1875.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1540.00; 1540.00] |
|
|
| Inp | 1540.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Tboil | 536.04 | K | Relay (1.0) Calculated Property |
| Tc | 737.89 | K | Relay (1.0) Calculated Property |
| Tfus | 265.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.742 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butyldimethylsilyloxy-2-bromo-3-fluorobenzene.
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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