- InChI
- InChI=1S/C12H19ClOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9H,1-5H3
- InChI Key
- DZPKJDCRDGUMDN-UHFFFAOYSA-N
- Formula
- C12H19ClOSi
- SMILES
-
CC(C)(C)[Si](C)(C)Oc1cccc(Cl)c
1 - Molecular Weight1
- 242.82
- Other Names
-
- 3-chlorophenol, TBDMS
- 3-Chlorophenol, tbdms 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 | 0.4324 | Relay (... Calculated Property | |
| ΔfG° | 20.36 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -331.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 57.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -4.09 | Relay (... Calculated Property | |
| logPoct/wat | 4.724 | Crippen Calculated Property | |
| Pc | 2224.62 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1455.10; 1455.10] |
|
|
| Inp | 1455.10 | NIST | |
| Inp | 1455.10 | NIST | |
| Tboil | 529.71 | K | Relay (... Calculated Property |
| Tc | 742.62 | K | Relay (... Calculated Property |
| Tfus | 308.70 | K | Relay (... Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorophenol, tert-butyldimethylsilyl 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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