- InChI
- InChI=1S/C18H32O4Si3/c1-23(2,3)20-16-12-10-15(14-17(16)21-24(4,5)6)11-13-18(19)22-25(7,8)9/h10-14H,1-9H3/b13-11+
- InChI Key
- MBIYCWDFSLHMSI-ACCUITESSA-N
- Formula
- C18H32O4Si3
- SMILES
-
C[Si](C)(C)OC(=O)C=Cc1ccc(O[Si
](C)(C)C)c(O[Si](C)(C)C)c1 - Molecular Weight1
- 396.70
- CAS
- 67460-53-1
- Other Names
-
- trans-Caffeic acid, triTMS
- 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 | 0.7698 | Relay (... Calculated Property | |
| ΔfG° | -265.08 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1000.12 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | Relay (... Calculated Property |
| log10WS | -4.38 | Relay (... Calculated Property | |
| logPoct/wat | 5.505 | Crippen Calculated Property | |
| Pc | 610.02 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2144.00 | NIST | |
| Tboil | 597.11 | K | Relay (... Calculated Property |
| Tc | 798.68 | K | Relay (... Calculated Property |
| Tfus | 360.54 | K | Relay (... Calculated Property |
| Vc | 1.260 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Caffeic acid, TMS.
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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