- InChI
- InChI=1S/C24H38O4Si/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/h9-10,12,14-15,19H,11,13,16-17H2,1-8H3
- InChI Key
- CQOWNGUPNVMRRS-UHFFFAOYSA-N
- Formula
- C24H38O4Si
- SMILES
-
CC(C)=CCCC(C)CCOC(=O)c1ccccc1C
(=O)O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 418.64
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 3,7-dimethyloct-6-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 | 0.8982 | Relay (1.0) Calculated Property | |
| ΔfG° | -205.49 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -931.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.778 | Crippen Calculated Property | |
| Pc | 816.96 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | 2576.00 | NIST | |
| Tboil | 647.57 | K | Relay (1.0) Calculated Property |
| Tc | 868.04 | K | Relay (1.0) Calculated Property |
| Tfus | 282.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.293 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl 3,7-dimethyloct-6-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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