- InChI
- InChI=1S/C22H34O6Si2/c1-16(2)12-13-25-21(24)11-10-18-14-19(26-17(3)23)22(28-30(7,8)9)20(15-18)27-29(4,5)6/h10-12,14-15H,13H2,1-9H3/b11-10+
- InChI Key
- UZYCIVYKDKQUMK-ZHACJKMWSA-N
- Formula
- C22H34O6Si2
- SMILES
-
CC(=O)Oc1cc(C=CC(=O)OCC=C(C)C)
cc(O[Si](C)(C)C)c1O[Si](C)(C)C - Molecular Weight1
- 450.67
- 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 | 0.9178 | Relay (1.0) Calculated Property | |
| ΔfG° | -435.22 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -1182.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.562 | Crippen Calculated Property | |
| Pc | 316.25 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | [2505.00; 2505.00] |
|
|
| Inp | 2505.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Tboil | 650.55 | K | Relay (1.0) Calculated Property |
| Tc | 851.15 | K | Relay (1.0) Calculated Property |
| Tfus | 360.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.335 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenyl-3-acetyloxycaffeate, 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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