- InChI
- InChI=1S/C11H16O2SSi/c1-14-10-7-5-9(6-8-10)11(12)13-15(2,3)4/h5-8H,1-4H3
- InChI Key
- UDGURYFSTIYAOU-UHFFFAOYSA-N
- Formula
- C11H16O2SSi
- SMILES
- CSc1ccc(C(=O)O[Si](C)(C)C)cc1
- Molecular Weight1
- 240.39
- 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 | 0.5310 | Relay (... Calculated Property | |
| ΔfG° | -147.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -438.14 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -3.61 | Relay (... Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| Pc | 1835.92 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1720.00 | NIST | |
| Tboil | 568.41 | K | Relay (... Calculated Property |
| Tc | 736.06 | K | Relay (... Calculated Property |
| Tfus | 307.75 | K | Relay (... Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Methylthio)benzoic acid, trimethylsilyl ester.
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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