- InChI
- InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
- InChI Key
- USPWUOFNOTUBAD-UHFFFAOYSA-N
- Formula
- C7F8
- SMILES
- Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F
- Molecular Weight1
- 236.06
- CAS
- 434-64-0
- Other Names
-
- (Trifluoromethyl)pentafluorobenzene
- OCTAFLUOROTOLUENE
- Pentafluoro(trifluoro-methyl)benzene
- Perfluorotoluene
- Toluene, octafluoro-
- pentafluoro(trifluoromethyl)benzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ν : Kinematic viscosity (m2/s).
- 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).
- ρc : Critical density (kg/m3).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4750 | KDB | |
| EA | [0.86; 1.70] | eV |
|
| EA | 0.86 ± 0.11 | eV | NIST |
| EA | 1.70 ± 0.30 | eV | NIST |
| ΔfG° | -1483.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1269.40 ± 7.80 | kJ/mol | NIST |
| ΔfH°liquid | -1311.10 ± 7.80 | kJ/mol | NIST |
| ΔfusH° | 23.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.40; 41.60] | kJ/mol |
|
| ΔvapH° | 40.50 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 40.40 | kJ/mol | NIST |
| ΔvapH° | 41.60 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 41.60 ± 0.20 | kJ/mol | NIST |
| IE | [9.90; 10.54] | eV |
|
| IE | 10.20 | eV | NIST |
| IE | 10.40 ± 0.10 | eV | NIST |
| IE | 10.54 | eV | NIST |
| IE | 9.90 | eV | NIST |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.401 | Crippen Calculated Property | |
| McVol | 99.890 | ml/mol | McGowan Calculated Property |
| Pc | [2680.00; 2705.00] | kPa |
|
| Pc | 2705.00 | kPa | KDB |
| Pc | 2680.00 | kPa | NIST |
| Pc | 2705.00 ± 4.00 | kPa | NIST |
| ρc | 551.91 ± 0.54 | kg/m3 | NIST |
| S°liquid | [355.50; 360.10] | J/mol×K |
|
| S°liquid | 360.10 | J/mol×K | NIST |
| S°liquid | 355.50 | J/mol×K | NIST |
| Tboil | [377.00; 377.73] | K |
|
| Tboil | 377.73 | K | KDB |
| Tboil | 377.00 ± 1.00 | K | NIST |
| Tboil | 377.20 | K | NIST |
| Tc | [534.40; 534.47] | K |
|
| Tc | 534.47 | K | KDB |
| Tc | 534.40 | K | NIST |
| Tc | 534.47 ± 0.20 | K | NIST |
| Tc | 534.47 ± 0.05 | K | NIST |
| Tfus | 207.50 | K | KDB |
| Ttriple | [207.62; 207.69] | K |
|
| Ttriple | 207.62 ± 0.02 | K | NIST |
| Ttriple | 207.69 ± 0.02 | K | NIST |
| Vc | 0.428 | m3/kmol | KDB |
| Zc | 0.2605260 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.76; 248.31] | J/mol×K | [402.07; 553.75] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 210 220 230 240 250 400 450 500 550 | ||||
| Cp,gas | 212.76 | J/mol×K | 402.07 | Joback Calculated Property |
| Cp,gas | 219.42 | J/mol×K | 427.35 | Joback Calculated Property |
| Cp,gas | 225.78 | J/mol×K | 452.63 | Joback Calculated Property |
| Cp,gas | 231.84 | J/mol×K | 477.91 | Joback Calculated Property |
| Cp,gas | 237.61 | J/mol×K | 503.19 | Joback Calculated Property |
| Cp,gas | 243.09 | J/mol×K | 528.47 | Joback Calculated Property |
| Cp,gas | 248.31 | J/mol×K | 553.75 | Joback Calculated Property |
| Cp,liquid | [262.30; 266.40] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 266.40 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 262.30 | J/mol×K | 298.15 | NIST |
| ΔfusH | [11.49; 11.58] | kJ/mol | [207.00; 207.69] |
|
| ΔfusH | 11.49 | kJ/mol | 207.00 | NIST |
| ΔfusH | 11.49 | kJ/mol | 207.00 | NIST |
| ΔfusH | 11.58 | kJ/mol | 207.62 | NIST |
| ΔfusH | 11.49 | kJ/mol | 207.69 | NIST |
| ΔvapH | [40.00; 40.90] | kJ/mol | [330.50; 334.50] |
|
| ΔvapH | 40.90 | kJ/mol | 330.50 | NIST |
| ΔvapH | 40.00 | kJ/mol | 334.50 | NIST |
| ν | [0.0000005; 0.0000006] | m2/s | [298.15; 318.15] |
|
|
T(K) Kinematic viscosity (m2/s) 4.60e-7 4.80e-7 5.00e-7 5.20e-7 5.40e-7 5.60e-7 5.80e-7 6.00e-7 300 305 310 315 | ||||
| ν | 0.0000006 | m2/s | 298.15 | Viscosi... |
| ν | 0.0000006 | m2/s | 303.15 | Viscosi... |
| ν | 0.0000005 | m2/s | 308.15 | Viscosi... |
| ν | 0.0000005 | m2/s | 313.15 | Viscosi... |
| ν | 0.0000005 | m2/s | 318.15 | Viscosi... |
| Pvap | [2.18; 21.31] | kPa | [288.23; 333.93] |
|
|
T(K) Vapor pressure (kPa) 5 10 15 20 300 320 | ||||
| Pvap | 2.18 | kPa | 288.23 | Densiti... |
| Pvap | 2.95 | kPa | 293.20 | Densiti... |
| Pvap | 3.87 | kPa | 298.28 | Densiti... |
| Pvap | 5.09 | kPa | 303.18 | Densiti... |
| Pvap | 6.54 | kPa | 308.15 | Densiti... |
| Pvap | 8.43 | kPa | 313.15 | Densiti... |
| Pvap | 10.69 | kPa | 318.15 | Densiti... |
| Pvap | 13.38 | kPa | 323.15 | Densiti... |
| Pvap | 16.86 | kPa | 328.45 | Densiti... |
| Pvap | 21.31 | kPa | 333.93 | Densiti... |
| ΔfusS | 55.32 | J/mol×K | 207.69 | NIST |
| γ | [0.02; 0.02] | N/m | [287.15; 318.85] |
|
|
T(K) Surface Tension (N/m) 0.02 0.02 0.02 0.02 0.02 290 300 310 | ||||
| γ | 0.02 | N/m | 287.15 | Surface... |
| γ | 0.02 | N/m | 293.15 | Surface... |
| γ | 0.02 | N/m | 298.25 | Surface... |
| γ | 0.02 | N/m | 303.35 | Surface... |
| γ | 0.02 | N/m | 308.55 | Surface... |
| γ | 0.02 | N/m | 313.75 | Surface... |
| γ | 0.02 | N/m | 318.85 | Surface... |
Similar Compounds
Find more compounds similar to Benzene, pentafluoro(trifluoromethyl)-.
Sources
- Crippen Method
- Crippen Method
- Densities and Vapor Pressures of Highly Fluorinated Compounds
- Surface Tension of Liquid Fluorocompounds
- Viscosities of Liquid Fluorocompounds
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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