- InChI
- InChI=1S/C15H22ClNO2Si2/c1-20(2,3)17-13-8-7-12(16)9-11(13)10-14(17)15(18)19-21(4,5)6/h7-10H,1-6H3
- InChI Key
- ALKZKHHLLNOLNC-UHFFFAOYSA-N
- Formula
- C15H22ClNO2Si2
- SMILES
-
C[Si](C)(C)OC(=O)c1cc2cc(Cl)cc
c2n1[Si](C)(C)C - Molecular Weight1
- 339.96
- Other Names
-
- 5-Chloro-1H-indole-2-carboxylic acid, N,O-diTMS
- 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 | 0.6886 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -546.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.969 | Crippen Calculated Property | |
| Pc | 1142.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2088.00; 2088.00] |
|
|
| Inp | 2088.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Tboil | 618.79 | K | Relay (1.0) Calculated Property |
| Tc | 862.72 | K | Relay (1.0) Calculated Property |
| Tfus | 372.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.992 | 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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