![2-Propenoic acid, 3-[3,5-dimethoxy-4-[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester, (E)-](/cid/118-703-0/2-Propenoic-acid-3-3-5-dimethoxy-4-trimethylsilyl-oxy-phenyl-trimethylsilyl-ester-E.png "2-Propenoic acid, 3-[3,5-dimethoxy-4-[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester, (E)-")
- InChI
- InChI=1S/C17H28O5Si2/c1-19-14-11-13(9-10-16(18)21-23(3,4)5)12-15(20-2)17(14)22-24(6,7)8/h9-12H,1-8H3/b10-9+
- InChI Key
- LKLXWSPPLVNURP-MDZDMXLPSA-N
- Formula
- C17H28O5Si2
- SMILES
-
COc1cc(C=CC(=O)O[Si](C)(C)C)cc
(OC)c1O[Si](C)(C)C - Molecular Weight1
- 368.57
- CAS
- 67460-48-4
- Other Names
-
- Trimethylsilyl (2E)-3-(3,5-dimethoxy-4-[(trimethylsilyl)oxy]phenyl)-2-propenoate
- Sinapic acid, bis-TMS, (E)
- Sinapic acid, TMS, (E)
- Sinapinic acid, (e)-, 2tms 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).
- 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 | 0.8105 | Relay (1.0) Calculated Property | |
| ΔfG° | -355.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -967.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.309 | Crippen Calculated Property | |
| Pc | 747.24 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 606.23 | K | Relay (1.0) Calculated Property |
| Tc | 803.42 | K | Relay (1.0) Calculated Property |
| Tfus | 381.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.109 | m3/kmol | Relay (1.0) 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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