- InChI
- InChI=1S/C10H13BrClNO3Si/c1-17(2,7-11)16-6-8-4-3-5-9(12)10(8)13(14)15/h3-5H,6-7H2,1-2H3
- InChI Key
- GMTICJHPCWAAOA-UHFFFAOYSA-N
- Formula
- C10H13BrClNO3Si
- SMILES
-
C[Si](C)(CBr)OCc1cccc(Cl)c1[N+
](=O)[O-] - Molecular Weight1
- 338.66
- 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 | 0.6751 | Relay (1.0) Calculated Property | |
| ΔfG° | 87.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -263.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| Pc | 2088.47 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1975.00; 1975.00] |
|
|
| Inp | 1975.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Tboil | 584.78 | K | Relay (1.0) Calculated Property |
| Tc | 849.26 | K | Relay (1.0) Calculated Property |
| Tfus | 291.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-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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