- InChI
- InChI=1S/C17H27NO2Si2/c1-21(2,3)18-13-14(15-9-7-8-10-16(15)18)11-12-17(19)20-22(4,5)6/h7-10,13H,11-12H2,1-6H3
- InChI Key
- MMSXZNPQCVIOIS-UHFFFAOYSA-N
- Formula
- C17H27NO2Si2
- SMILES
-
C[Si](C)(C)OC(=O)CCc1cn([Si](C
)(C)C)c2ccccc12 - Molecular Weight1
- 333.57
- CAS
- 55191-57-6
- Other Names
-
- 3-Indolepropionic acid (2TMS)
- 3-Indole propanoic acid diTMS
- Indole-3-propionic acid, bis-TMS
- Indole-3-propionic acid, diTMS
- Indole-3-propionic acid, TMS
- 3-Indolepropionic acid, 2tms 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 | 0.7200 | Relay (... Calculated Property | |
| ΔfG° | 35.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -561.13 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -4.15 | Relay (... Calculated Property | |
| logPoct/wat | 4.635 | Crippen Calculated Property | |
| Pc | 985.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2066.00; 2089.00] |
|
|
| Inp | 2066.00 | NIST | |
| Inp | 2089.00 | NIST | |
| Inp | 2089.00 | NIST | |
| Inp | 2066.00 | NIST | |
| Tboil | 618.01 | K | Relay (... Calculated Property |
| Tc | 857.65 | K | Relay (... Calculated Property |
| Tfus | 344.61 | K | Relay (... Calculated Property |
| Vc | 1.061 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole-3-propanoic acid, 1-(trimethylsilyl)-, trimethylsilyl ester.
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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