- InChI
- InChI=1S/C18H26O4Si/c1-14(2)11-12-21-18(19)10-8-15-7-9-16(20-3)17(13-15)22-23(4,5)6/h7-11,13H,12H2,1-6H3/b10-8+
- InChI Key
- QVOWVVSRZSZXNM-CSKARUKUSA-N
- Formula
- C18H26O4Si
- SMILES
-
COc1ccc(C=CC(=O)OCC=C(C)C)cc1O
[Si](C)(C)C - Molecular Weight1
- 334.48
- 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 | 0.7360 | Relay (... Calculated Property | |
| ΔfG° | -191.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -695.10 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.08 | kJ/mol | Relay (... Calculated Property |
| IE | 8.09 | eV | Relay (... Calculated Property |
| log10WS | -4.44 | Relay (... Calculated Property | |
| logPoct/wat | 4.432 | Crippen Calculated Property | |
| Pc | 990.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2313.00; 2313.00] |
|
|
| Inp | 2313.00 | NIST | |
| Inp | 2313.00 | NIST | |
| Tboil | 624.69 | K | Relay (... Calculated Property |
| Tc | 807.54 | K | Relay (... Calculated Property |
| Tfus | 359.42 | K | Relay (... Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenyl (E)-isoferulate, 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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