- InChI
- InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
- InChI Key
- QULYNCCPRWKEMF-UHFFFAOYSA-N
- Formula
- C7H4ClF3
- SMILES
- FC(F)(F)c1ccc(Cl)cc1
- Molecular Weight1
- 180.56
- CAS
- 98-56-6
- Other Names
-
- (p-Chlorophenyl)trifluoromethane
- 1-(Trifluoromethyl)-4-chlorobenzene
- 1-Chloro-4-(trifluoromethyl)benzene
- 4-CHLOROBENZOTRIFLUORIDE
- 4-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- 4-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- NSC 10309
- Toluene, p-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
- Toluene, p-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
- p-(Trifluoromethyl)chlorobenzene
- p-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- p-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- p-Chlorobenzotrifluoride
- p-Chlorotrifluoromethylbenzene
- p-Trifluoromethylphenyl chloride
- para-Chlorobenzotrifluoride
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔcH°solid | -3329.00 ± 13.00 | kJ/mol | NIST |
| ΔfG° | -482.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.57 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -323.70 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 13.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.75 | kJ/mol | Joback Calculated Property |
| IE | [9.56; 9.80] | eV |
|
| IE | 9.80 ± 0.10 | eV | NIST |
| IE | 9.56 | eV | NIST |
| IE | 9.80 | eV | NIST |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 3.359 | Crippen Calculated Property | |
| McVol | 103.280 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Inp | [836.30; 836.30] |
|
|
| Inp | 836.30 | NIST | |
| Inp | 836.30 | NIST | |
| I | 1178.40 | NIST | |
| Tboil | [410.20; 411.70] | K |
|
| Tboil | 410.20 | K | NIST |
| Tboil | 411.70 | K | NIST |
| Tc | 622.89 | K | Joback Calculated Property |
| Tfus | 241.70 | K | Joback Calculated Property |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.34; 241.55] | J/mol×K | [423.23; 622.89] |
|
| Cp,gas | 191.34 | J/mol×K | 423.23 | Joback Calculated Property |
| Cp,gas | 201.41 | J/mol×K | 456.51 | Joback Calculated Property |
| Cp,gas | 210.74 | J/mol×K | 489.78 | Joback Calculated Property |
| Cp,gas | 219.39 | J/mol×K | 523.06 | Joback Calculated Property |
| Cp,gas | 227.38 | J/mol×K | 556.34 | Joback Calculated Property |
| Cp,gas | 234.75 | J/mol×K | 589.61 | Joback Calculated Property |
| Cp,gas | 241.55 | J/mol×K | 622.89 | Joback Calculated Property |
| ΔvapH | 42.20 | kJ/mol | 357.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [301.93; 439.06] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45020e+01 | |||
| Coefficient B | -3.56577e+03 | |||
| Coefficient C | -5.10770e+01 | |||
| Temperature range, min. | 301.93 | |||
| Temperature range, max. | 439.06 | |||
| Pvap | 1.33 | kPa | 301.93 | Calculated Property |
| Pvap | 3.01 | kPa | 317.17 | Calculated Property |
| Pvap | 6.22 | kPa | 332.40 | Calculated Property |
| Pvap | 11.92 | kPa | 347.64 | Calculated Property |
| Pvap | 21.45 | kPa | 362.88 | Calculated Property |
| Pvap | 36.55 | kPa | 378.11 | Calculated Property |
| Pvap | 59.39 | kPa | 393.35 | Calculated Property |
| Pvap | 92.58 | kPa | 408.59 | Calculated Property |
| Pvap | 139.19 | kPa | 423.82 | Calculated Property |
| Pvap | 202.65 | kPa | 439.06 | Calculated Property |
| Pvap | [9.26e-03; 2970.88] | kPa | [237.15; 601.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.43724e+01 | |||
| Coefficient B | -7.57771e+03 | |||
| Coefficient C | -8.65972e+00 | |||
| Coefficient D | 4.54808e-06 | |||
| Temperature range, min. | 237.15 | |||
| Temperature range, max. | 601.00 | |||
| Pvap | 9.26e-03 | kPa | 237.15 | Calculated Property |
| Pvap | 0.27 | kPa | 277.58 | Calculated Property |
| Pvap | 3.02 | kPa | 318.01 | Calculated Property |
| Pvap | 17.84 | kPa | 358.43 | Calculated Property |
| Pvap | 69.26 | kPa | 398.86 | Calculated Property |
| Pvap | 201.21 | kPa | 439.29 | Calculated Property |
| Pvap | 475.64 | kPa | 479.72 | Calculated Property |
| Pvap | 968.34 | kPa | 520.14 | Calculated Property |
| Pvap | 1766.51 | kPa | 560.57 | Calculated Property |
| Pvap | 2970.88 | kPa | 601.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-(trifluoromethyl)-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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