- InChI
- InChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
- InChI Key
- KALSHRGEFLVFHE-UHFFFAOYSA-N
- Formula
- C7H3Cl2F3
- SMILES
- FC(F)(F)c1ccc(Cl)cc1Cl
- Molecular Weight1
- 215.00
- CAS
- 320-60-5
- Other Names
-
- 1,3-DICHLORO-4-(TRIFLUOROMETYL)BENZENE
- 1,3-Dichloro-4-(trifluoromethyl)benzene
- 2,4-Dichloro-1-(trifluoromethyl)benzene
- 2,4-Dichlorobenzotrifluoride
- 2,4-dichloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- 2,4-dichloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- 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).
- 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 | 0.3713 | Relay (... Calculated Property | |
| ΔfG° | -504.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.28 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.76 | kJ/mol | Relay (... Calculated Property |
| IE | 9.51 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 4.012 | Crippen Calculated Property | |
| McVol | 115.520 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | [390.50; 390.70] | K |
|
| Tboil | 390.70 | K | NIST |
| Tboil | 390.50 ± 0.50 | K | NIST |
| Tc | 650.83 | K | Relay (... Calculated Property |
| Tfus | 273.33 | K | Relay (... Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.20; 258.84] | J/mol×K | [465.64; 673.39] |
|
| Cp,gas | 215.20 | J/mol×K | 465.64 | Joback Calculated Property |
| Cp,gas | 224.05 | J/mol×K | 500.26 | Joback Calculated Property |
| Cp,gas | 232.21 | J/mol×K | 534.89 | Joback Calculated Property |
| Cp,gas | 239.74 | J/mol×K | 569.51 | Joback Calculated Property |
| Cp,gas | 246.66 | J/mol×K | 604.14 | Joback Calculated Property |
| Cp,gas | 253.01 | J/mol×K | 638.76 | Joback Calculated Property |
| Cp,gas | 258.84 | J/mol×K | 673.39 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [332.62; 479.81] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45538e+01 | |||
| Coefficient B | -3.86291e+03 | |||
| Coefficient C | -6.18510e+01 | |||
| Temperature range, min. | 332.62 | |||
| Temperature range, max. | 479.81 | |||
| Pvap | 1.33 | kPa | 332.62 | Calculated Property |
| Pvap | 3.00 | kPa | 348.97 | Calculated Property |
| Pvap | 6.20 | kPa | 365.33 | Calculated Property |
| Pvap | 11.89 | kPa | 381.68 | Calculated Property |
| Pvap | 21.40 | kPa | 398.04 | Calculated Property |
| Pvap | 36.47 | kPa | 414.39 | Calculated Property |
| Pvap | 59.28 | kPa | 430.75 | Calculated Property |
| Pvap | 92.46 | kPa | 447.10 | Calculated Property |
| Pvap | 139.09 | kPa | 463.46 | Calculated Property |
| Pvap | 202.65 | kPa | 479.81 | Calculated Property |
| Pvap | [1.91e-03; 2762.60] | kPa | [247.55; 646.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.04011e+01 | |||
| Coefficient B | -8.73865e+03 | |||
| Coefficient C | -9.36249e+00 | |||
| Coefficient D | 3.91306e-06 | |||
| Temperature range, min. | 247.55 | |||
| Temperature range, max. | 646.00 | |||
| Pvap | 1.91e-03 | kPa | 247.55 | Calculated Property |
| Pvap | 0.10 | kPa | 291.82 | Calculated Property |
| Pvap | 1.46 | kPa | 336.09 | Calculated Property |
| Pvap | 10.69 | kPa | 380.37 | Calculated Property |
| Pvap | 48.09 | kPa | 424.64 | Calculated Property |
| Pvap | 154.81 | kPa | 468.91 | Calculated Property |
| Pvap | 393.63 | kPa | 513.18 | Calculated Property |
| Pvap | 844.30 | kPa | 557.46 | Calculated Property |
| Pvap | 1599.07 | kPa | 601.73 | Calculated Property |
| Pvap | 2762.60 | kPa | 646.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2,4-dichloro-1-(trifluoromethyl)-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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