- InChI
- InChI=1S/C15H20ClNO2Si/c1-15(2,3)20(4,5)19-14(18)13-9-10-8-11(16)6-7-12(10)17-13/h6-9,17H,1-5H3
- InChI Key
- JYUAWRCUJOPLTK-UHFFFAOYSA-N
- Formula
- C15H20ClNO2Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cc2c
c(Cl)ccc2[nH]1 - Molecular Weight1
- 309.86
- Other Names
-
- 5-Chloro-1H-indole-2-carboxylic acid, BDMS
- 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 | 0.6588 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -463.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.501 | Crippen Calculated Property | |
| Pc | 2005.31 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2269.00; 2269.00] |
|
|
| Inp | 2269.00 | NIST | |
| Inp | 2269.00 | NIST | |
| Tboil | 631.28 | K | Relay (1.0) Calculated Property |
| Tc | 906.45 | K | Relay (1.0) Calculated Property |
| Tfus | 453.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-1H-indole-2-carboxylic 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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