- InChI
- InChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
- InChI Key
- LVZPKYYPPLUECL-UHFFFAOYSA-N
- Formula
- C7H4Cl4
- SMILES
- Clc1ccc(C(Cl)(Cl)Cl)cc1
- Molecular Weight1
- 229.92
- CAS
- 5216-25-1
- Other Names
-
- 1-Chloro-4-(trichloromethyl)benzene
- 4,«alpha»,«alpha»,«alpha»-Tetrachlorotoluene
- 4,«alpha»,«alpha»,«alpha»-Tetrachlorotoluene
- 4-Chlorobenzotrichloride
- Toluene, p,«alpha»,«alpha»,«alpha»-tetrachloro-
- Toluene, p,«alpha»,«alpha»,«alpha»-tetrachloro-
- Toluene, «alpha»,«alpha»,«alpha»,p-tetrachloro-
- Toluene, «alpha»,«alpha»,«alpha»,p-tetrachloro-
- p,«alpha»,«alpha»,«alpha»-Tetrachlorotoluene
- p,«alpha»,«alpha»,«alpha»-Tetrachlorotoluene
- p-Chlorobenzotrichloride
- p-Chlorophenyltrichloromethane
- p-Trichloromethylchlorobenzene
- «alpha»,«alpha»,«alpha»,4-Tetrachlorotoluene
- «alpha»,«alpha»,«alpha»-Trichloro-4-chlorotoluene
- «alpha»,«alpha»,«alpha»,4-Tetrachlorotoluene
- «alpha»,«alpha»,«alpha»-Trichloro-4-chlorotoluene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 65.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 4.167 | Crippen Calculated Property | |
| McVol | 134.690 | ml/mol | McGowan Calculated Property |
| Pc | 3448.03 | kPa | Joback Calculated Property |
| Inp | [1361.00; 1367.20] |
|
|
| Inp | 1367.20 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1367.20 | NIST | |
| Tboil | 518.20 | K | NIST |
| Tc | 792.94 | K | Joback Calculated Property |
| Tfus | 329.69 | K | Joback Calculated Property |
| Vc | 0.504 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.44; 274.69] | J/mol×K | [537.71; 792.94] |
|
| Cp,gas | 233.44 | J/mol×K | 537.71 | Joback Calculated Property |
| Cp,gas | 242.39 | J/mol×K | 580.25 | Joback Calculated Property |
| Cp,gas | 250.40 | J/mol×K | 622.79 | Joback Calculated Property |
| Cp,gas | 257.55 | J/mol×K | 665.32 | Joback Calculated Property |
| Cp,gas | 263.93 | J/mol×K | 707.86 | Joback Calculated Property |
| Cp,gas | 269.61 | J/mol×K | 750.40 | Joback Calculated Property |
| Cp,gas | 274.69 | J/mol×K | 792.94 | Joback Calculated Property |
| η | [0.0002731; 0.0024728] | Pa×s | [329.69; 537.71] |
|
| η | 0.0024728 | Pa×s | 329.69 | Joback Calculated Property |
| η | 0.0014383 | Pa×s | 364.36 | Joback Calculated Property |
| η | 0.0009192 | Pa×s | 399.03 | Joback Calculated Property |
| η | 0.0006310 | Pa×s | 433.70 | Joback Calculated Property |
| η | 0.0004580 | Pa×s | 468.37 | Joback Calculated Property |
| η | 0.0003475 | Pa×s | 503.04 | Joback Calculated Property |
| η | 0.0002731 | Pa×s | 537.71 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.20 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [380.12; 553.28] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38683e+01 | |||
| Coefficient B | -4.00529e+03 | |||
| Coefficient C | -8.51960e+01 | |||
| Temperature range, min. | 380.12 | |||
| Temperature range, max. | 553.28 | |||
| Pvap | 1.33 | kPa | 380.12 | Calculated Property |
| Pvap | 3.06 | kPa | 399.36 | Calculated Property |
| Pvap | 6.39 | kPa | 418.60 | Calculated Property |
| Pvap | 12.31 | kPa | 437.84 | Calculated Property |
| Pvap | 22.15 | kPa | 457.08 | Calculated Property |
| Pvap | 37.63 | kPa | 476.32 | Calculated Property |
| Pvap | 60.82 | kPa | 495.56 | Calculated Property |
| Pvap | 94.17 | kPa | 514.80 | Calculated Property |
| Pvap | 140.44 | kPa | 534.04 | Calculated Property |
| Pvap | 202.66 | kPa | 553.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-(trichloromethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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