- InChI
- InChI=1S/C12H16O3SSi/c1-9(13)16-11-7-5-6-10(8-11)12(14)15-17(2,3)4/h5-8H,1-4H3
- InChI Key
- NJLWCBFCICHNCF-UHFFFAOYSA-N
- Formula
- C12H16O3SSi
- SMILES
-
CC(=O)Sc1cccc(C(=O)O[Si](C)(C)
C)c1 - Molecular Weight1
- 268.40
- 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 | 0.5595 | Relay (... Calculated Property | |
| ΔfG° | -253.90 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -581.70 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -3.60 | Relay (... Calculated Property | |
| logPoct/wat | 3.317 | Crippen Calculated Property | |
| Pc | 1753.81 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1792.00; 1792.00] |
|
|
| Inp | 1792.00 | NIST | |
| Inp | 1792.00 | NIST | |
| Tboil | 575.73 | K | Relay (... Calculated Property |
| Tc | 760.76 | K | Relay (... Calculated Property |
| Tfus | 308.74 | K | Relay (... Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-acetylthio-, 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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