- InChI
- InChI=1S/C23H38O4Si/c1-17(16-22(2,3)4)14-15-26-20(24)18-12-10-11-13-19(18)21(25)27-28(8,9)23(5,6)7/h10-13,17H,14-16H2,1-9H3
- InChI Key
- URVFLTXJZBJUAO-UHFFFAOYSA-N
- Formula
- C23H38O4Si
- SMILES
-
CC(CCOC(=O)c1ccccc1C(=O)O[Si](
C)(C)C(C)(C)C)CC(C)(C)C - Molecular Weight1
- 406.63
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 3,5,5-trimethylhexyl 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 | 0.8838 | Relay (... Calculated Property | |
| ΔfG° | -267.34 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1004.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.91 | eV | Relay (... Calculated Property |
| log10WS | -6.18 | Relay (... Calculated Property | |
| logPoct/wat | 6.468 | Crippen Calculated Property | |
| Pc | 906.48 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2418.00 | NIST | |
| Tboil | 635.80 | K | Relay (... Calculated Property |
| Tc | 862.52 | K | Relay (... Calculated Property |
| Tfus | 312.89 | K | Relay (... Calculated Property |
| Vc | 1.290 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl 3,5,5-trimethylhexyl 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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