- InChI
- InChI=1S/C6H4F3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2
- InChI Key
- RGUGZPYYMOAJLO-UHFFFAOYSA-N
- Formula
- C6H4F3N
- SMILES
- Nc1c(F)ccc(F)c1F
- Molecular Weight1
- 147.10
- CAS
- 67815-56-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 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 | 0.4380 | Relay (1.0) Calculated Property | |
| ΔfusH° | 18.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.10 ± 0.50 | kJ/mol | NIST |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.686 | Crippen Calculated Property | |
| McVol | 86.930 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Tboil | 437.84 | K | Relay (1.0) Calculated Property |
| Tc | 656.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.95; 215.06] | J/mol×K | [448.64; 647.02] | 
|
| Cp,gas | 174.95 | J/mol×K | 448.64 | Joback Calculated Property |
| Cp,gas | 182.53 | J/mol×K | 481.70 | Joback Calculated Property |
| Cp,gas | 189.75 | J/mol×K | 514.77 | Joback Calculated Property |
| Cp,gas | 196.60 | J/mol×K | 547.83 | Joback Calculated Property |
| Cp,gas | 203.09 | J/mol×K | 580.89 | Joback Calculated Property |
| Cp,gas | 209.25 | J/mol×K | 613.96 | Joback Calculated Property |
| Cp,gas | 215.06 | J/mol×K | 647.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trifluoroaniline.
Sources
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