- InChI
- InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
- InChI Key
- PDCBZHHORLHNCZ-UHFFFAOYSA-N
- Formula
- C8H4F6
- SMILES
- FC(F)(F)c1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 214.11
- CAS
- 433-19-2
- Other Names
-
- 1,4-Bis(trifluoromethyl)benzene
- 1,4-di(Trifluoromethyl)benzene
- Hexafluoro-p-xylene
- NSC 61992
- alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene
- p-Bis(trifluoromethyl)benzene
- p-Trifluoromethylbenzotrifluoride
- p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
- p-Xylene, «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-hexafluoro-
- p-Xylene, «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-hexafluoro-
- «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-Hexafluoro-p-xylene
- «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-Hexafluoro-p-xylene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 0.3827 | Relay (... Calculated Property | |
| ΔfG° | -1043.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1227.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.85 | kJ/mol | Relay (... Calculated Property |
| IE | 10.43 ± 0.05 | eV | NIST |
| log10WS | -3.95 | 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 | 389.20 | K | NIST |
| Tc | 592.47 | K | Relay (... Calculated Property |
| Tfus | 360.90 | K | Relay (... Calculated Property |
| Vc | 0.439 | 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 |
| ΔvapH | 41.80 | kJ/mol | 338.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [288.00; 486.62] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.09616e+01 | |||
| Coefficient B | -2.38439e+03 | |||
| Coefficient C | -6.46190e+01 | |||
| Temperature range, min. | 288.00 | |||
| Temperature range, max. | 486.62 | |||
| Pvap | 1.33 | kPa | 288.00 | Calculated Property |
| Pvap | 3.48 | kPa | 310.07 | Calculated Property |
| Pvap | 7.76 | kPa | 332.14 | Calculated Property |
| Pvap | 15.30 | kPa | 354.21 | Calculated Property |
| Pvap | 27.41 | kPa | 376.28 | Calculated Property |
| Pvap | 45.46 | kPa | 398.34 | Calculated Property |
| Pvap | 70.81 | kPa | 420.41 | Calculated Property |
| Pvap | 104.74 | kPa | 442.48 | Calculated Property |
| Pvap | 148.36 | kPa | 464.55 | Calculated Property |
| Pvap | 202.64 | kPa | 486.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-bis(trifluoromethyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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