- InChI
- InChI=1S/C19H34O2SSi2/c1-18(2,3)23(7,8)21-17(20)15-12-11-13-16(14-15)22-24(9,10)19(4,5)6/h11-14H,1-10H3
- InChI Key
- WKMWZLNMQYYVJJ-UHFFFAOYSA-N
- Formula
- C19H34O2SSi2
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cccc
(S[Si](C)(C)C(C)(C)C)c1 - Molecular Weight1
- 382.71
- Other Names
-
- 3-Mercaptobenzoic acid, O,S-di(tert.-butyldimethylsilyl)-
- 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 | 0.6376 | Relay (... Calculated Property | |
| ΔfG° | -62.01 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -681.25 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.25 | eV | Relay (... Calculated Property |
| log10WS | -5.82 | Relay (... Calculated Property | |
| logPoct/wat | 6.946 | Crippen Calculated Property | |
| Pc | 1340.69 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2232.00; 2236.40] |
|
|
| Inp | 2232.00 | NIST | |
| Inp | 2236.40 | NIST | |
| Inp | 2232.00 | NIST | |
| Inp | 2236.40 | NIST | |
| Tboil | 607.39 | K | Relay (... Calculated Property |
| Tc | 844.69 | K | Relay (... Calculated Property |
| Tfus | 372.98 | K | Relay (... Calculated Property |
| Vc | 1.199 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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