- InChI
- InChI=1S/C13H22O2SSi2/c1-17(2,3)15-13(14)11-8-7-9-12(10-11)16-18(4,5)6/h7-10H,1-6H3
- InChI Key
- BWXOAADEYNKOEC-UHFFFAOYSA-N
- Formula
- C13H22O2SSi2
- SMILES
-
C[Si](C)(C)OC(=O)c1cccc(S[Si](
C)(C)C)c1 - Molecular Weight1
- 298.55
- Other Names
-
- 3-Mercaptobenzoic acid, 2tms 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 | 0.5550 | Relay (... Calculated Property | |
| ΔfG° | -139.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -593.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 70.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -4.38 | Relay (... Calculated Property | |
| logPoct/wat | 4.605 | Crippen Calculated Property | |
| Pc | 1253.73 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1738.00; 1743.70] |
|
|
| Inp | 1738.00 | NIST | |
| Inp | 1743.70 | NIST | |
| Inp | 1743.70 | NIST | |
| Inp | 1738.00 | NIST | |
| Tboil | 576.22 | K | Relay (... Calculated Property |
| Tc | 759.82 | K | Relay (... Calculated Property |
| Tfus | 315.57 | K | Relay (... Calculated Property |
| Vc | 0.910 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Mercaptobenzoic acid, S-trimethylsilyl-, 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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