- InChI
- InChI=1S/C13H22OSSi/c1-13(2,3)16(5,6)14-11-9-7-8-10-12(11)15-4/h7-10H,1-6H3
- InChI Key
- WBWXPYBUPHJPKX-UHFFFAOYSA-N
- Formula
- C13H22OSSi
- SMILES
- CSc1ccccc1O[Si](C)(C)C(C)(C)C
- Molecular Weight1
- 254.46
- Other Names
-
- 2-(Methylthio)phenol, 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 | 0.4408 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -289.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.792 | Crippen Calculated Property | |
| Pc | 2052.25 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1662.30; 1662.30] |
|
|
| Inp | 1662.30 | NIST | |
| Inp | 1662.30 | NIST | |
| Tboil | 552.26 | K | Relay (1.0) Calculated Property |
| Tc | 759.82 | K | Relay (1.0) Calculated Property |
| Tfus | 311.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Methylthio)phenol, 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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