- InChI
- InChI=1S/C10H16OSSi/c1-11-9-5-7-10(8-6-9)12-13(2,3)4/h5-8H,1-4H3
- InChI Key
- XOFFEXFRCYEWGZ-UHFFFAOYSA-N
- Formula
- C10H16OSSi
- SMILES
- COc1ccc(S[Si](C)(C)C)cc1
- Molecular Weight1
- 212.38
- Other Names
-
- 4-Methoxythiophenol, 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 | 0.4148 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -236.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.622 | Crippen Calculated Property | |
| Pc | 2099.06 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1492.70; 1492.70] |
|
|
| Inp | 1492.70 | NIST | |
| Inp | 1492.70 | NIST | |
| Tboil | 543.19 | K | Relay (1.0) Calculated Property |
| Tc | 714.72 | K | Relay (1.0) Calculated Property |
| Tfus | 319.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxythiophenol, S-trimethylsilyl-.
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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