- InChI
- InChI=1S/C11H16BrNO3Si/c1-9-5-4-6-10(11(9)13(14)15)7-16-17(2,3)8-12/h4-6H,7-8H2,1-3H3
- InChI Key
- SVMAJCXWCMZQSQ-UHFFFAOYSA-N
- Formula
- C11H16BrNO3Si
- SMILES
-
Cc1cccc(CO[Si](C)(C)CBr)c1[N+]
(=O)[O-] - Molecular Weight1
- 318.24
- 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 | 0.6823 | Relay (... Calculated Property | |
| ΔfG° | 113.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -271.88 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.62 | kJ/mol | Relay (... Calculated Property |
| IE | 9.27 | eV | Relay (... Calculated Property |
| log10WS | -3.58 | Relay (... Calculated Property | |
| logPoct/wat | 3.559 | Crippen Calculated Property | |
| Pc | 2009.70 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1880.00 | NIST | |
| Tboil | 584.80 | K | Relay (... Calculated Property |
| Tc | 834.59 | K | Relay (... Calculated Property |
| Tfus | 287.95 | K | Relay (... Calculated Property |
| Vc | 0.721 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-nitrobenzyl alcohol, bromomethyldimethylsilyl 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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