- InChI
- InChI=1S/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H
- InChI Key
- XXZOEDQFGXTEAD-UHFFFAOYSA-N
- Formula
- C8H4F6
- SMILES
- FC(F)(F)c1ccccc1C(F)(F)F
- Molecular Weight1
- 214.11
- CAS
- 433-95-4
- Other Names
-
- o-Xylene, «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-hexafluoro-
- 1,2-Bis(trifluoromethyl)benzene
- o-Bis(trifluoromethyl)benzene
- 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 | 0.3747 | Relay (... Calculated Property | |
| ΔfG° | -1043.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1203.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.28 | kJ/mol | Relay (... Calculated Property |
| IE | 9.86 | eV | Relay (... Calculated Property |
| log10WS | -3.48 | Relay (... Calculated Property | |
| logPoct/wat | 3.724 | Crippen Calculated Property | |
| McVol | 110.440 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Tboil | 392.30 | K | Relay (... Calculated Property |
| Tc | 588.84 | K | Relay (... Calculated Property |
| Tfus | 271.80 | K | Relay (... Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.05; 288.29] | J/mol×K | [403.26; 575.71] | 
|
| Cp,gas | 230.05 | J/mol×K | 403.26 | Joback Calculated Property |
| Cp,gas | 241.61 | J/mol×K | 432.00 | Joback Calculated Property |
| Cp,gas | 252.37 | J/mol×K | 460.74 | Joback Calculated Property |
| Cp,gas | 262.39 | J/mol×K | 489.48 | Joback Calculated Property |
| Cp,gas | 271.69 | J/mol×K | 518.23 | Joback Calculated Property |
| Cp,gas | 280.31 | J/mol×K | 546.97 | Joback Calculated Property |
| Cp,gas | 288.29 | J/mol×K | 575.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-bis(trifluoromethyl)-.
Sources
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