- InChI
- InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
- InChI Key
- GETTZEONDQJALK-UHFFFAOYSA-N
- Formula
- C7H5F3
- SMILES
- FC(F)(F)c1ccccc1
- Molecular Weight1
- 146.11
- CAS
- 98-08-8
- Other Names
-
- (Trifluoromethyl)benzene
- .alpha.,.alpha.,.alpha.-trifluorotoluene
- 1,1,1-TRIFLUOROTOLUENE
- ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
- BENZENYL FLUORIDE
- BENZOTRIFLUORIDE
- Benzylidyne fluoride
- Benzyltrifluoride
- NSC 8038
- Phenylfluoroform
- Toluene, «alpha»,«alpha»,«alpha»-trifluoro-
- Toluene, «alpha»,«alpha»,«alpha»-trifluoro-
- Trifluoro(phenyl)methane
- Trifluoromethylbenzene
- UN 2338
- USAF MA-16
- «alpha»,«alpha»,«alpha»-Trifluorotoluene
- «alpha»,«alpha»,«alpha»-Trifluorotoluene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔsubH : Enthalpy of sublimation 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).
- 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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-3390.50; -3369.30] | kJ/mol |
|
| ΔcH°liquid | -3369.30 ± 0.50 | kJ/mol | NIST |
| ΔcH°liquid | -3390.50 | kJ/mol | NIST |
| EA | 0.00 | eV | NIST |
| ΔfG° | -461.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.03 | kJ/mol | NIST |
| ΔfH°liquid | -620.45 | kJ/mol | NIST |
| ΔfusH° | 9.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [37.10; 37.67] | kJ/mol |
|
| ΔvapH° | 37.67 | kJ/mol | NIST |
| ΔvapH° | 37.10 | kJ/mol | NIST |
| ΔvapH° | 37.60 | kJ/mol | NIST |
| IE | [9.68; 9.86] | eV |
|
| IE | 9.69 ± 0.01 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | 9.69 ± 0.03 | eV | NIST |
| IE | 9.69 ± 0.00 | eV | NIST |
| IE | 9.68 | eV | NIST |
| IE | 9.68 ± 0.02 | eV | NIST |
| IE | 9.69 ± 0.01 | eV | NIST |
| IE | Outlier 9.86 | eV | NIST |
| log10WS | [-2.51; -2.51] |
|
|
| log10WS | -2.51 | Aq. Sol... | |
| log10WS | -2.51 | Estimat... | |
| logPoct/wat | 2.705 | Crippen Calculated Property | |
| McVol | 91.040 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Inp | [656.30; 700.00] |
|
|
| Inp | 656.30 | NIST | |
| Inp | 656.40 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 700.00 | NIST | |
| S°liquid | 271.50 | J/mol×K | NIST |
| Tboil | [374.50; 376.61] | K |
|
| Tboil | Outlier 376.61 | K | KDB |
| Tboil | 375.70 | K | Phase d... |
| Tboil | 375.19 ± 0.20 | K | NIST |
| Tboil | 375.20 | K | NIST |
| Tboil | 374.50 ± 0.50 | K | NIST |
| Tboil | 375.00 | K | NIST |
| Tboil | 375.20 | K | NIST |
| Tboil | 375.20 ± 0.40 | K | NIST |
| Tboil | 375.40 ± 1.00 | K | NIST |
| Tc | 559.90 | K | NIST |
| Tfus | [244.00; 244.78] | K |
|
| Tfus | 244.78 | K | Aq. Sol... |
| Tfus | 244.00 ± 0.02 | K | NIST |
| Ttriple | [244.14; 244.14] | K |
|
| Ttriple | 244.14 ± 0.02 | K | NIST |
| Ttriple | 244.14 ± 0.07 | K | NIST |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.39; 221.37] | J/mol×K | [380.82; 571.05] |
|
| Cp,gas | 164.39 | J/mol×K | 380.82 | Joback Calculated Property |
| Cp,gas | 175.67 | J/mol×K | 412.52 | Joback Calculated Property |
| Cp,gas | 186.19 | J/mol×K | 444.23 | Joback Calculated Property |
| Cp,gas | 195.99 | J/mol×K | 475.93 | Joback Calculated Property |
| Cp,gas | 205.09 | J/mol×K | 507.64 | Joback Calculated Property |
| Cp,gas | 213.54 | J/mol×K | 539.34 | Joback Calculated Property |
| Cp,gas | 221.37 | J/mol×K | 571.05 | Joback Calculated Property |
| Cp,liquid | 188.45 | J/mol×K | 298.15 | NIST |
| ΔfusH | [11.99; 13.78] | kJ/mol | [242.00; 244.14] |
|
| ΔfusH | 11.99 | kJ/mol | 242.00 | NIST |
| ΔfusH | 13.77 | kJ/mol | 244.00 | NIST |
| ΔfusH | 13.78 | kJ/mol | 244.14 | NIST |
| ΔsubH | 54.40 | kJ/mol | 227.50 | NIST |
| ΔvapH | [31.60; 39.10] | kJ/mol | [308.00; 500.00] |
|
| ΔvapH | 39.10 | kJ/mol | 308.00 | NIST |
| ΔvapH | 38.50 | kJ/mol | 314.00 | NIST |
| ΔvapH | 35.40 ± 0.10 | kJ/mol | 334.00 | NIST |
| ΔvapH | 34.10 ± 0.10 | kJ/mol | 353.00 | NIST |
| ΔvapH | 35.90 | kJ/mol | 353.50 | NIST |
| ΔvapH | 35.60 | kJ/mol | 370.50 | NIST |
| ΔvapH | 35.70 | kJ/mol | 370.50 | NIST |
| ΔvapH | 32.60 ± 0.10 | kJ/mol | 375.00 | NIST |
| ΔvapH | 32.63 | kJ/mol | 375.20 | NIST |
| ΔvapH | 32.40 | kJ/mol | 495.00 | NIST |
| ΔvapH | 31.60 | kJ/mol | 500.00 | NIST |
| n0 | 1.41320 | 298.15 | Study o... | |
| ρl | 1182.18 | kg/m3 | 298.15 | Volumet... |
| ΔfusS | 56.45 | J/mol×K | 244.14 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.17; 202.64] | kPa | [244.14; 400.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42129e+01 | |||
| Coefficient B | -3.14473e+03 | |||
| Coefficient C | -4.72370e+01 | |||
| Temperature range, min. | 244.14 | |||
| Temperature range, max. | 400.52 | |||
| Pvap | 0.17 | kPa | 244.14 | Calculated Property |
| Pvap | 0.63 | kPa | 261.52 | Calculated Property |
| Pvap | 1.89 | kPa | 278.89 | Calculated Property |
| Pvap | 4.88 | kPa | 296.27 | Calculated Property |
| Pvap | 11.12 | kPa | 313.64 | Calculated Property |
| Pvap | 22.90 | kPa | 331.02 | Calculated Property |
| Pvap | 43.41 | kPa | 348.39 | Calculated Property |
| Pvap | 76.73 | kPa | 365.77 | Calculated Property |
| Pvap | 127.86 | kPa | 383.14 | Calculated Property |
| Pvap | 202.64 | kPa | 400.52 | Calculated Property |
| Pvap | [0.17; 3397.92] | kPa | [244.14; 565.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 5.19443e+01 | |||
| Coefficient B | -5.93323e+03 | |||
| Coefficient C | -5.37094e+00 | |||
| Coefficient D | 2.26368e-06 | |||
| Temperature range, min. | 244.14 | |||
| Temperature range, max. | 565.00 | |||
| Pvap | 0.17 | kPa | 244.14 | Calculated Property |
| Pvap | 1.93 | kPa | 279.79 | Calculated Property |
| Pvap | 11.66 | kPa | 315.44 | Calculated Property |
| Pvap | 46.74 | kPa | 351.09 | Calculated Property |
| Pvap | 140.14 | kPa | 386.74 | Calculated Property |
| Pvap | 340.07 | kPa | 422.40 | Calculated Property |
| Pvap | 705.08 | kPa | 458.05 | Calculated Property |
| Pvap | 1297.17 | kPa | 493.70 | Calculated Property |
| Pvap | 2176.38 | kPa | 529.35 | Calculated Property |
| Pvap | 3397.92 | kPa | 565.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (trifluoromethyl)-.
Mixtures
- Benzene, (trifluoromethyl)- + Ethanol
- Ethanol, 2,2,2-trifluoro- + Benzene, (trifluoromethyl)- + Ethanol
- Benzene + Benzene, (trifluoromethyl)-
- Trichloromethane + Benzene, (trifluoromethyl)-
- Ethanol, 2,2,2-trifluoro- + Benzene, (trifluoromethyl)-
- Benzene, (trifluoromethyl)- + Ethanol + Water
- Isopropyl Alcohol + Benzene, (trifluoromethyl)- + Water
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Solubilities and liquid liquid equilibria of (water + ethanol + a,a,a-trifluorotoluene) at temperatures T = (288.15, 298.15, and 308.15) K and pressure p = 101.2 kPa
- Volumetric properties of binary and ternary mixtures of diisopropyl ether, a,a,a-trifluorotoluene, 2,2,2-trifluoroethanol, and ethanol at a temperature 298.15 K and pressure 101 kPa
- Phase diagrams of (vapour + liquid) equilibrium for binary mixtures of a,a,a-trifluorotoluene with ethanol, or benzene, or chloroform at pressure 101.4 kPa
- Solubilities and Phase Equilibria for Ternary Solutions of alpha, alpha, alpha-Trifluorotoluene, Water, and 2-Propanol at Three Temperatures and Pressure of 101.2 kPa
- Study of Vapor-Liquid Equilibrium for Binary Mixtures (Chloroform + 2,2,2-Trifluoroethanol) and (r,r,r-Trifluorotoluene + 2,2,2-Trifluoroethanol) at Pressure 102 kPa
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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