- InChI
- InChI=1S/C21H30O4Si/c1-16(2)10-9-11-17(3)14-15-24-20(22)18-12-7-8-13-19(18)21(23)25-26(4,5)6/h7-8,10,12-14H,9,11,15H2,1-6H3/b17-14+
- InChI Key
- LQGCNXWJYMTBDN-SAPNQHFASA-N
- Formula
- C21H30O4Si
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)c1ccccc1
C(=O)O[Si](C)(C)C - Molecular Weight1
- 374.55
- Other Names
-
- 1,2-Benzenedicarboxylic acid, (E)-3,7-dimethylocta-2,6-dienyl trimethylsilyl ester
- 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 | 0.7988 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -804.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.528 | Crippen Calculated Property | |
| Pc | 724.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2404.00 | NIST | |
| Tboil | 631.63 | K | Relay (1.0) Calculated Property |
| Tc | 831.26 | K | Relay (1.0) Calculated Property |
| Tfus | 257.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.131 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Benzoic acid, [(E,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester.](data:image/png;base64,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)
Find more compounds similar to (E)-3,7-Dimethylocta-2,6-dienyl trimethylsilyl phthalate.
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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