- InChI
- InChI=1S/C20H24O3Si/c1-24(2,3)23-19-12-9-18(10-13-19)11-14-20(21)22-16-15-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3/b14-11+
- InChI Key
- RZYCBDJLWNNNKX-SDNWHVSQSA-N
- Formula
- C20H24O3Si
- SMILES
-
C[Si](C)(C)Oc1ccc(C=CC(=O)OCCc
2ccccc2)cc1 - Molecular Weight1
- 340.49
- 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 | 0.7434 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -456.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.699 | Crippen Calculated Property | |
| Pc | 1197.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2549.00; 2565.00] |
|
|
| Inp | 2549.00 | NIST | |
| Inp | 2565.00 | NIST | |
| Tboil | 666.20 | K | Relay (1.0) Calculated Property |
| Tc | 881.82 | K | Relay (1.0) Calculated Property |
| Tfus | 343.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.009 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylethyl (E)-p-coumarate, mono-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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