- InChI
- InChI=1S/C24H36O4Si/c1-18(2)12-11-13-19(3)16-17-27-22(25)20-14-9-10-15-21(20)23(26)28-29(7,8)24(4,5)6/h9-10,12,14-16H,11,13,17H2,1-8H3/b19-16+
- InChI Key
- SOHGNQLGCAVAFC-KNTRCKAVSA-N
- Formula
- C24H36O4Si
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)c1ccccc1
C(=O)O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 416.63
- Other Names
-
- 1,2-Benzenedicarboxylic acid, (E)-3,7-dimethylocta-2,6-dienyl tert-butyldimethylsilyl 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 | 0.8336 | Relay (... Calculated Property | |
| ΔfG° | -159.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -855.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -5.97 | Relay (... Calculated Property | |
| logPoct/wat | 6.698 | Crippen Calculated Property | |
| Pc | 777.09 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2629.00; 2629.00] |
|
|
| Inp | 2629.00 | NIST | |
| Inp | 2629.00 | NIST | |
| Tboil | 646.84 | K | Relay (... Calculated Property |
| Tc | 872.92 | K | Relay (... Calculated Property |
| Tfus | 296.38 | K | Relay (... Calculated Property |
| Vc | 1.257 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl (E)-3,7-dimethylocta-2,6-dienyl 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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