- InChI
- InChI=1S/C15H22O3SSi/c1-11(16)19-13-10-8-7-9-12(13)14(17)18-20(5,6)15(2,3)4/h7-10H,1-6H3
- InChI Key
- ZNKXDARUDBTDEL-UHFFFAOYSA-N
- Formula
- C15H22O3SSi
- SMILES
-
CC(=O)Sc1ccccc1C(=O)O[Si](C)(C
)C(C)(C)C - Molecular Weight1
- 310.48
- 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 | 0.5898 | Relay (... Calculated Property | |
| ΔfG° | -206.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -629.88 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 73.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -4.15 | Relay (... Calculated Property | |
| logPoct/wat | 4.487 | Crippen Calculated Property | |
| Pc | 1822.38 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1963.00; 1963.00] |
|
|
| Inp | 1963.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Tboil | 581.17 | K | Relay (... Calculated Property |
| Tc | 813.57 | K | Relay (... Calculated Property |
| Tfus | 345.74 | K | Relay (... Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-acetylthio-, tert.-butyldimethylsilyl 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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