- InChI
- InChI=1S/C20H30O4Si/c1-7-8-9-12-15-23-18(21)16-13-10-11-14-17(16)19(22)24-25(5,6)20(2,3)4/h8-11,13-14H,7,12,15H2,1-6H3/b9-8+
- InChI Key
- OJBOKUCZRGHCMX-CMDGGOBGSA-N
- Formula
- C20H30O4Si
- SMILES
-
CCC=CCCOC(=O)c1ccccc1C(=O)O[Si
](C)(C)C(C)(C)C - Molecular Weight1
- 362.54
- Other Names
-
- 1,2-Benzenedicarboxylic acid, (E)-hex-3-enyl 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 | 0.7831 | Relay (... Calculated Property | |
| ΔfG° | -228.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -857.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 83.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.82 | eV | Relay (... Calculated Property |
| log10WS | -4.84 | Relay (... Calculated Property | |
| logPoct/wat | 5.362 | Crippen Calculated Property | |
| Pc | 1165.24 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2240.00 | NIST | |
| Tboil | 621.04 | K | Relay (... Calculated Property |
| Tc | 837.64 | K | Relay (... Calculated Property |
| Tfus | 269.91 | K | Relay (... Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl (E)-hex-3-enyl 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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