- InChI
- InChI=1S/C18H28O4Si/c1-7-14(2)13-21-18(19)11-9-15-8-10-16(20-3)17(12-15)22-23(4,5)6/h8-12,14H,7,13H2,1-6H3/b11-9+
- InChI Key
- NUMDLHBOQVQERA-PKNBQFBNSA-N
- Formula
- C18H28O4Si
- SMILES
-
CCC(C)COC(=O)C=Cc1ccc(OC)c(O[S
i](C)(C)C)c1 - Molecular Weight1
- 336.50
- 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 | 0.7854 | Relay (1.0) Calculated Property | |
| ΔfG° | -248.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -810.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.511 | Crippen Calculated Property | |
| Pc | 1023.24 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2250.00 | NIST | |
| Tboil | 626.19 | K | Relay (1.0) Calculated Property |
| Tc | 799.02 | K | Relay (1.0) Calculated Property |
| Tfus | 344.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylbutyl (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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