- InChI
- InChI=1S/C12H18O3Si/c1-9(13)11-7-6-10(14-2)8-12(11)15-16(3,4)5/h6-8H,1-5H3
- InChI Key
- DJPUUBCEMVTSRM-UHFFFAOYSA-N
- Formula
- C12H18O3Si
- SMILES
-
COc1ccc(C(C)=O)c(O[Si](C)(C)C)
c1 - Molecular Weight1
- 238.35
- Other Names
-
- 2'-Hydroxy-4'-methoxyacetophenone, tms 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 | 0.6166 | Relay (... Calculated Property | |
| ΔfG° | -214.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -589.14 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.64 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -2.87 | Relay (... Calculated Property | |
| logPoct/wat | 3.111 | Crippen Calculated Property | |
| Pc | 1676.59 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1640.20 | NIST | |
| Tboil | 562.05 | K | Relay (... Calculated Property |
| Tc | 747.60 | K | Relay (... Calculated Property |
| Tfus | 315.62 | K | Relay (... Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2'-Hydroxy-4'-methoxyacetophenone, trimethylsilyl 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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