- InChI
- InChI=1S/C21H38O3Si2/c1-20(2,3)25(7,8)23-16-18(17-14-12-11-13-15-17)19(22)24-26(9,10)21(4,5)6/h11-15,18H,16H2,1-10H3
- InChI Key
- DMPHHMWSYJVBNE-UHFFFAOYSA-N
- Formula
- C21H38O3Si2
- SMILES
-
CC(C)(C)[Si](C)(C)OCC(C(=O)O[S
i](C)(C)C(C)(C)C)c1ccccc1 - Molecular Weight1
- 394.70
- Other Names
-
- Tropic acid, TBDMS
- Tropic acid, bis-TBDMS
- Tropate, TBDMS
- Tropic acid, 2tbdms derivative
- 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 | 0.6696 | Relay (1.0) Calculated Property | |
| ΔfG° | -130.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -841.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.340 | Crippen Calculated Property | |
| Pc | 1251.32 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2011.40; 2033.00] |
|
|
| Inp | 2033.00 | NIST | |
| Inp | 2033.00 | NIST | |
| Inp | 2011.40 | NIST | |
| Inp | 2024.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Tboil | 598.70 | K | Relay (1.0) Calculated Property |
| Tc | 852.23 | K | Relay (1.0) Calculated Property |
| Tfus | 344.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.277 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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