- InChI
- InChI=1S/C14H22O2Si/c1-11-8-7-9-12(10-11)13(15)16-17(5,6)14(2,3)4/h7-10H,1-6H3
- InChI Key
- KQMQUHOKNQDKJF-UHFFFAOYSA-N
- Formula
- C14H22O2Si
- SMILES
-
Cc1cccc(C(=O)O[Si](C)(C)C(C)(C
)C)c1 - Molecular Weight1
- 250.41
- CAS
- 959296-29-8
- Other Names
-
- Benzoic acid, 3-methyl-, tert-butyldimethylsilyl ester
- 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 | 0.5623 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -511.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.157 | Crippen Calculated Property | |
| Pc | 1878.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1587.00 | NIST | |
| Tboil | 550.91 | K | Relay (1.0) Calculated Property |
| Tc | 762.26 | K | Relay (1.0) Calculated Property |
| Tfus | 305.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.782 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl 3-methylbenzoate.
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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