- InChI
- InChI=1S/C13H20O2Si/c1-13(2,3)16(4,5)15-12(14)11-9-7-6-8-10-11/h6-10H,1-5H3
- InChI Key
- GPSVOHKZRIFVOF-UHFFFAOYSA-N
- Formula
- C13H20O2Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cccc
c1 - Molecular Weight1
- 236.38
- CAS
- 75732-41-1
- Other Names
-
- Benzoic acid, tert-butyldimethylsilyl ester
- Benzoic acid, DMTBS
- Benzoic acid, TBDMS
- tert-Butyldimethylsilyl benzoate
- Benzoic acid, tbdms 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 | 0.5238 | Relay (... Calculated Property | |
| ΔfG° | -94.18 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -475.17 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.64 | kJ/mol | Relay (... Calculated Property |
| IE | 9.12 | eV | Relay (... Calculated Property |
| log10WS | -3.51 | Relay (... Calculated Property | |
| logPoct/wat | 3.849 | Crippen Calculated Property | |
| Pc | 2050.39 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1458.00; 1508.00] |
|
|
| Inp | 1508.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1484.61 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Tboil | 534.70 | K | Relay (... Calculated Property |
| Tc | 748.57 | K | Relay (... Calculated Property |
| Tfus | 312.08 | K | Relay (... Calculated Property |
| Vc | 0.726 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Silanol, (1,1-dimethylethyl)dimethyl-, benzoate.
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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