- InChI
- InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
- InChI Key
- SPSWJTZNOXMMMV-UHFFFAOYSA-N
- Formula
- C6H3F4N
- SMILES
- Nc1c(F)c(F)cc(F)c1F
- Molecular Weight1
- 165.09
- CAS
- 700-17-4
- Other Names
-
- 2,3,5,6-Tetrafluoraniline
- 1-Amino-2,3,5,6-tetrafluorobenzene
- Benzenamine, 2,3,5,6-tetrafluoro-
- Aniline, 2,3,5,6-tetrafluoro-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.4628 | Relay (... Calculated Property | |
| ΔfG° | -639.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.90 | eV | NIST |
| log10WS | -2.49 | Relay (... Calculated Property | |
| logPoct/wat | 1.825 | Crippen Calculated Property | |
| McVol | 88.700 | ml/mol | McGowan Calculated Property |
| Pc | 3690.97 | kPa | Joback Calculated Property |
| Tboil | [431.00; 431.20] | K |
|
| Tboil | 431.00 | K | NIST |
| Tboil | 431.20 | K | NIST |
| Tc | 637.48 | K | Relay (... Calculated Property |
| Tfus | 308.46 | K | Relay (... Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.33; 219.77] | J/mol×K | [452.89; 642.23] |
|
| Cp,gas | 183.33 | J/mol×K | 452.89 | Joback Calculated Property |
| Cp,gas | 190.12 | J/mol×K | 484.45 | Joback Calculated Property |
| Cp,gas | 196.62 | J/mol×K | 516.00 | Joback Calculated Property |
| Cp,gas | 202.83 | J/mol×K | 547.56 | Joback Calculated Property |
| Cp,gas | 208.75 | J/mol×K | 579.12 | Joback Calculated Property |
| Cp,gas | 214.40 | J/mol×K | 610.67 | Joback Calculated Property |
| Cp,gas | 219.77 | J/mol×K | 642.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5,6-Tetrafluoroaniline.
Sources
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