- InChI
- InChI=1S/C20H32O4Si2/c1-16(2)13-14-22-20(21)12-10-17-9-11-18(23-25(3,4)5)19(15-17)24-26(6,7)8/h9-13,15H,14H2,1-8H3/b12-10+
- InChI Key
- VXQJJTOLIGXTFH-ZRDIBKRKSA-N
- Formula
- C20H32O4Si2
- SMILES
-
CC(C)=CCOC(=O)C=Cc1ccc(O[Si](C
)(C)C)c(O[Si](C)(C)C)c1 - Molecular Weight1
- 392.64
- Other Names
-
- 3-Methyl-2-butenyl (E)-caffeate, TMS
- 3-Methyl-2-butenyl caffeate, TMS
- 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 | 0.7780 | Relay (... Calculated Property | |
| ΔfG° | -198.34 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -848.61 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.77 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -5.03 | Relay (... Calculated Property | |
| logPoct/wat | 5.637 | Crippen Calculated Property | |
| Pc | 622.12 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2396.00; 2422.00] |
|
|
| Inp | 2422.00 | NIST | |
| Inp | 2396.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Inp | 2422.00 | NIST | |
| Tboil | 627.23 | K | Relay (... Calculated Property |
| Tc | 820.04 | K | Relay (... Calculated Property |
| Tfus | 353.65 | K | Relay (... Calculated Property |
| Vc | 1.206 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenyl (E)-caffeate, bis-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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