- InChI
- InChI=1S/C9H9Cl5OSi/c1-16(2,3)15-9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3
- InChI Key
- LPEMXQKCFPLXMH-UHFFFAOYSA-N
- Formula
- C9H9Cl5OSi
- SMILES
-
C[Si](C)(C)Oc1c(Cl)c(Cl)c(Cl)c
(Cl)c1Cl - Molecular Weight1
- 338.52
- Other Names
-
- Pentachlorophenol, TMS
- Pentachlorophenol, 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 | 0.5582 | Relay (... Calculated Property | |
| ΔfG° | -131.95 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -330.59 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -6.32 | Relay (... Calculated Property | |
| logPoct/wat | 6.167 | Crippen Calculated Property | |
| Pc | 1721.68 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1840.00; 1896.70] |
|
|
| Inp | 1840.00 | NIST | |
| Inp | 1896.70 | NIST | |
| Tboil | 577.25 | K | Relay (... Calculated Property |
| Tc | 820.85 | K | Relay (... Calculated Property |
| Tfus | 396.25 | K | Relay (... Calculated Property |
| Vc | 0.767 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pentachlorophenol, 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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