- InChI
- InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H
- InChI Key
- JTZSFNHHVULOGJ-UHFFFAOYSA-N
- Formula
- C6H4F3N
- SMILES
- FC(F)(F)c1cccnc1
- Molecular Weight1
- 147.10
- CAS
- 3796-23-4
- Other Names
-
- 3-Trifluoromethylpyridine
- 3-(CF3)-Pyridine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.3005 | Relay (1.0) Calculated Property | |
| PAff | 892.50 | kJ/mol | NIST |
| BasG | 860.70 | kJ/mol | NIST |
| ΔfG° | -438.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -532.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 43.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.100 | Crippen Calculated Property | |
| McVol | 86.930 | ml/mol | McGowan Calculated Property |
| Pc | 3465.06 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 390.68 | K | Relay (1.0) Calculated Property |
| Tc | 600.32 | K | Relay (1.0) Calculated Property |
| Tfus | 255.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.310 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3-(trifluoromethyl)-.
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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