- InChI
- InChI=1S/C19H26O5Si/c1-14(2)11-12-22-19(21)10-8-16-7-9-17(23-15(3)20)18(13-16)24-25(4,5)6/h7-11,13H,12H2,1-6H3/b10-8+
- InChI Key
- BUOUKBLUZBRGLM-CSKARUKUSA-N
- Formula
- C19H26O5Si
- SMILES
-
CC(=O)Oc1ccc(C=CC(=O)OCC=C(C)C
)cc1O[Si](C)(C)C - Molecular Weight1
- 362.49
- 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 | 0.7959 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -901.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.348 | Crippen Calculated Property | |
| Pc | 939.04 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2398.00 | NIST | |
| Tboil | 634.30 | K | Relay (1.0) Calculated Property |
| Tc | 822.82 | K | Relay (1.0) Calculated Property |
| Tfus | 352.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.040 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenyl (E)-4-acetylcaffeate, 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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