- InChI
- InChI=1S/C8H11BrO3Si/c1-13(2,6-9)12-8(10)7-3-4-11-5-7/h3-5H,6H2,1-2H3
- InChI Key
- CJGYCXUTSRHTOL-UHFFFAOYSA-N
- Formula
- C8H11BrO3Si
- SMILES
- C[Si](C)(CBr)OC(=O)c1ccoc1
- Molecular Weight1
- 263.16
- 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 | 0.5746 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -519.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.576 | Crippen Calculated Property | |
| Pc | 2485.01 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1381.00; 1381.00] |
|
|
| Inp | 1381.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Tboil | 521.38 | K | Relay (1.0) Calculated Property |
| Tc | 728.51 | K | Relay (1.0) Calculated Property |
| Tfus | 269.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.588 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Furoic acid, bromomethyldimethylsilyl 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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