- InChI
- InChI=1S/C21H24O5Si/c1-16(22)25-20-14-17(10-12-19(20)26-27(2,3)4)11-13-21(23)24-15-18-8-6-5-7-9-18/h5-14H,15H2,1-4H3/b13-11+
- InChI Key
- RMSLYNNTKQUDOY-ACCUITESSA-N
- Formula
- C21H24O5Si
- SMILES
-
CC(=O)Oc1cc(C=CC(=O)OCc2ccccc2
)ccc1O[Si](C)(C)C - Molecular Weight1
- 384.50
- 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 | 0.8457 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -764.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.582 | Crippen Calculated Property | |
| Pc | 1008.24 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2783.00; 2783.00] |
|
|
| Inp | 2783.00 | NIST | |
| Inp | 2783.00 | NIST | |
| Tboil | 672.25 | K | Relay (1.0) Calculated Property |
| Tc | 903.94 | K | Relay (1.0) Calculated Property |
| Tfus | 365.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl (E)-3-acetylcaffeate, 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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