- InChI
- InChI=1S/C9H11Cl3OSi/c1-14(2,3)13-9-7(11)5-4-6(10)8(9)12/h4-5H,1-3H3
- InChI Key
- BFMVRFQFQXIYTB-UHFFFAOYSA-N
- Formula
- C9H11Cl3OSi
- SMILES
- C[Si](C)(C)Oc1c(Cl)ccc(Cl)c1Cl
- Molecular Weight1
- 269.63
- Other Names
-
- 2,3,6-Trichlorophenol, tms derivative
- 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 | 0.4756 | Relay (... Calculated Property | |
| ΔfG° | -67.43 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -324.40 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 63.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -4.33 | Relay (... Calculated Property | |
| logPoct/wat | 4.861 | Crippen Calculated Property | |
| Pc | 2016.72 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1537.90; 1537.90] |
|
|
| Inp | 1537.90 | NIST | |
| Inp | 1537.90 | NIST | |
| Tboil | 522.71 | K | Relay (... Calculated Property |
| Tc | 760.35 | K | Relay (... Calculated Property |
| Tfus | 321.41 | K | Relay (... Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trichlorophenol, trimethylsilyl 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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