- InChI
- InChI=1S/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
- InChI Key
- OGQYJDHTHFAPRN-UHFFFAOYSA-N
- Formula
- C8H3F4N
- SMILES
- N#Cc1c(F)cccc1C(F)(F)F
- Molecular Weight1
- 189.11
- CAS
- 133116-83-3
- Other Names
-
- 2-Fluoro-6-(trifluoromethyl)benzonitrile
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -533.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.92 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 2.716 | Crippen Calculated Property | |
| McVol | 108.280 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Tboil | 515.01 | K | Joback Calculated Property |
| Tc | 717.26 | K | Joback Calculated Property |
| Tfus | 301.15 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.76; 280.01] | J/mol×K | [515.01; 717.26] | 
|
| Cp,gas | 237.76 | J/mol×K | 515.01 | Joback Calculated Property |
| Cp,gas | 246.24 | J/mol×K | 548.72 | Joback Calculated Property |
| Cp,gas | 254.09 | J/mol×K | 582.43 | Joback Calculated Property |
| Cp,gas | 261.36 | J/mol×K | 616.14 | Joback Calculated Property |
| Cp,gas | 268.08 | J/mol×K | 649.84 | Joback Calculated Property |
| Cp,gas | 274.29 | J/mol×K | 683.55 | Joback Calculated Property |
| Cp,gas | 280.01 | J/mol×K | 717.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»,«alpha»,«alpha»,6-Tetrafluoro-o-tolunitrile.
Sources
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