- InChI
- InChI=1S/C12H14ClNO2Si/c1-17(2,3)16-12(15)11-7-8-6-9(13)4-5-10(8)14-11/h4-7,14H,1-3H3
- InChI Key
- DVRXHLFAWBKKSS-UHFFFAOYSA-N
- Formula
- C12H14ClNO2Si
- SMILES
-
C[Si](C)(C)OC(=O)c1cc2cc(Cl)cc
c2[nH]1 - Molecular Weight1
- 267.78
- Other Names
-
- 5-Chloro-1H-indole-2-carboxylic acid TMS
- 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 | 0.6219 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -420.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.331 | Crippen Calculated Property | |
| Pc | 2040.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2008.00 | NIST | |
| Tboil | 617.41 | K | Relay (1.0) Calculated Property |
| Tc | 862.03 | K | Relay (1.0) Calculated Property |
| Tfus | 430.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-1H-indole-2-carboxylic acid, 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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