- InChI
- InChI=1S/C21H26O4Si/c1-23-19-12-10-18(16-20(19)25-26(2,3)4)11-13-21(22)24-15-14-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3/b13-11+
- InChI Key
- MZMONAFSPJMFIP-ACCUITESSA-N
- Formula
- C21H26O4Si
- SMILES
-
COc1ccc(C=CC(=O)OCCc2ccccc2)cc
1O[Si](C)(C)C - Molecular Weight1
- 370.51
- 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 | 0.8273 | Relay (... Calculated Property | |
| ΔfG° | -114.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -596.54 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.13 | eV | Relay (... Calculated Property |
| log10WS | -4.75 | Relay (... Calculated Property | |
| logPoct/wat | 4.708 | Crippen Calculated Property | |
| Pc | 965.07 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2679.00; 2679.00] |
|
|
| Inp | 2679.00 | NIST | |
| Inp | 2679.00 | NIST | |
| Tboil | 678.65 | K | Relay (... Calculated Property |
| Tc | 899.64 | K | Relay (... Calculated Property |
| Tfus | 363.86 | K | Relay (... Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenylethyl (E)-isoferulate, 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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