- InChI
- InChI=1S/C22H30O4Si2/c1-27(2,3)25-20-14-12-18(16-21(20)26-28(4,5)6)13-15-22(23)24-17-19-10-8-7-9-11-19/h7-16H,17H2,1-6H3/b15-13+
- InChI Key
- SDXLQJAPPVWFDV-FYWRMAATSA-N
- Formula
- C22H30O4Si2
- SMILES
-
C[Si](C)(C)Oc1ccc(C=CC(=O)OCc2
ccccc2)cc1O[Si](C)(C)C - Molecular Weight1
- 414.64
- 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 | 0.8347 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -716.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.871 | Crippen Calculated Property | |
| Pc | 683.55 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2679.00; 2679.00] |
|
|
| Inp | 2679.00 | NIST | |
| Inp | 2679.00 | NIST | |
| Tboil | 664.52 | K | Relay (1.0) Calculated Property |
| Tc | 900.30 | K | Relay (1.0) Calculated Property |
| Tfus | 370.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.248 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl (E)-caffeate, 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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