- InChI
- InChI=1S/C13H13Cl2NO2Si/c1-19(2,3)18-13(17)11-10(15)5-4-8-6-9(14)7-16-12(8)11/h4-7H,1-3H3
- InChI Key
- JDVKVDVHSOTTPW-UHFFFAOYSA-N
- Formula
- C13H13Cl2NO2Si
- SMILES
-
C[Si](C)(C)OC(=O)c1c(Cl)ccc2cc
(Cl)cnc12 - Molecular Weight1
- 314.24
- Other Names
-
- 8-Quinolinecarboxylic acid, 3,7-dichloro-, trimethylsilyl ester
- Quinclorac TMS ester
- 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 | 0.6455 | Relay (... Calculated Property | |
| ΔfG° | -77.04 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -396.38 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -4.71 | Relay (... Calculated Property | |
| logPoct/wat | 4.533 | Crippen Calculated Property | |
| Pc | 1756.83 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2092.00; 2092.00] |
|
|
| Inp | 2092.00 | NIST | |
| Inp | 2092.00 | NIST | |
| Tboil | 621.67 | K | Relay (... Calculated Property |
| Tc | 891.65 | K | Relay (... Calculated Property |
| Tfus | 360.24 | K | Relay (... Calculated Property |
| Vc | 0.804 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-Dichloroquinoline-8-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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