- InChI
- InChI=1S/C20H32O4Si/c1-8-15(9-2)14-23-18(21)16-12-10-11-13-17(16)19(22)24-25(6,7)20(3,4)5/h10-13,15H,8-9,14H2,1-7H3
- InChI Key
- XPQVHUGTFQBBEI-UHFFFAOYSA-N
- Formula
- C20H32O4Si
- SMILES
-
CCC(CC)COC(=O)c1ccccc1C(=O)O[S
i](C)(C)C(C)(C)C - Molecular Weight1
- 364.55
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 2-ethylbutyl 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 | 0.8258 | Relay (1.0) Calculated Property | |
| ΔfG° | -289.76 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -942.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.442 | Crippen Calculated Property | |
| Pc | 1191.45 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | 2196.00 | NIST | |
| Tboil | 618.42 | K | Relay (1.0) Calculated Property |
| Tc | 835.73 | K | Relay (1.0) Calculated Property |
| Tfus | 263.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.120 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl 2-ethylbutyl 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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