- InChI
- InChI=1S/C12H16O2Si/c1-15(2,3)14-12(13)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3
- InChI Key
- HEVXLPBSUCJVAQ-UHFFFAOYSA-N
- Formula
- C12H16O2Si
- SMILES
- C[Si](C)(C)OC(=O)C=Cc1ccccc1
- Molecular Weight1
- 220.34
- CAS
- 2078-20-8
- Other Names
-
- Cinnamic acid, trimethylsilyl ester
- Cinnamic acid, TMS
- Trimethylsilyl 3-phenyl-2-propenoate
- (Z)-Cinnamic acid, TMS
- (E)-Cynnamic acid, TMS
- Cinnamic acid, tms derivative
- 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 | 0.4829 | Relay (1.0) Calculated Property | |
| ΔfG° | -66.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -395.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.078 | Crippen Calculated Property | |
| Pc | 2032.57 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1497.00; 1540.00] |
|
|
| Inp | 1540.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Tboil | 531.06 | K | Relay (1.0) Calculated Property |
| Tc | 719.67 | K | Relay (1.0) Calculated Property |
| Tfus | 289.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-phenyl-, trimethylsilyl ester.
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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