- InChI
- InChI=1S/C16H23NO2Si/c1-16(2,3)20(4,5)19-15(18)10-12-11-17-14-9-7-6-8-13(12)14/h6-9,11,17H,10H2,1-5H3
- InChI Key
- IDZOKLIQJYIVQF-UHFFFAOYSA-N
- Formula
- C16H23NO2Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)Cc1c[n
H]c2ccccc12 - Molecular Weight1
- 289.44
- Other Names
-
- 3-Indoleacetic acid, tbdms 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 | 0.6398 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -439.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.777 | Crippen Calculated Property | |
| Pc | 1966.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2188.60; 2188.60] |
|
|
| Inp | 2188.60 | NIST | |
| Inp | 2188.60 | NIST | |
| Tboil | 620.92 | K | Relay (1.0) Calculated Property |
| Tc | 894.69 | K | Relay (1.0) Calculated Property |
| Tfus | 399.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Indoleacetic acid, tert-butyldimethylsilyl 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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