- InChI
- InChI=1S/C13H22O2Si/c1-13(2,3)16(5,6)15-12-9-7-8-11(10-12)14-4/h7-10H,1-6H3
- InChI Key
- JBXKAOXLDLBEQM-UHFFFAOYSA-N
- Formula
- C13H22O2Si
- SMILES
-
COc1cccc(O[Si](C)(C)C(C)(C)C)c
1 - Molecular Weight1
- 238.40
- Other Names
-
- 3-Methoxyphenol, 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 | 0.5201 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -435.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.079 | Crippen Calculated Property | |
| Pc | 1988.32 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1512.40; 1512.40] |
|
|
| Inp | 1512.40 | NIST | |
| Inp | 1512.40 | NIST | |
| Tboil | 545.67 | K | Relay (1.0) Calculated Property |
| Tc | 742.85 | K | Relay (1.0) Calculated Property |
| Tfus | 321.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.741 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxyphenol, tert-butyldimethylsilyl ether.
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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