- InChI
- InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H
- InChI Key
- LLRQVSZVVAKRJA-UHFFFAOYSA-N
- Formula
- C10H5ClF3N
- SMILES
- FC(F)(F)c1ccc2c(Cl)ccnc2c1
- Molecular Weight1
- 231.60
- CAS
- 346-55-4
- Other Names
-
- Quinoline, 4-chloro-7-(trifluoromethyl)-
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.4480 | Relay (... Calculated Property | |
| ΔfG° | -390.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -525.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 66.01 | kJ/mol | Relay (... Calculated Property |
| IE | 9.17 | eV | Relay (... Calculated Property |
| log10WS | -3.48 | Relay (... Calculated Property | |
| logPoct/wat | 3.907 | Crippen Calculated Property | |
| McVol | 136.070 | ml/mol | McGowan Calculated Property |
| Pc | 2881.71 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 528.07 | K | Relay (... Calculated Property |
| Tc | 781.77 | K | Relay (... Calculated Property |
| Tfus | 368.95 | K | Relay (... Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-7-(trifluoromethyl)quinoline.
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
- McGowan Method
- NIST Webbook
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