- InChI
- InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
- InChI Key
- JHBKHLUZVFWLAG-UHFFFAOYSA-N
- Formula
- C6H2Cl4
- SMILES
- Clc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 215.89
- CAS
- 95-94-3
- Other Names
-
- 1,2,4,5-tetrachlorobenzene
- Rcra waste number U207
- s-tetrachlorobenzene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2631.24 | kJ/mol | NIST |
| EA | 0.45 | eV | NIST |
| ΔfH°gas | -32.62 | kJ/mol | NIST |
| ΔfH°solid | -110.19 | kJ/mol | NIST |
| ΔfusH° | 20.96 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 83.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 60.70 | kJ/mol | NIST |
| IE | [8.90; 9.20] | eV |
|
| IE | 9.00 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 9.07 | eV | NIST |
| IE | 9.15 ± 0.03 | eV | NIST |
| IE | 9.20 ± 0.05 | eV | NIST |
| IE | 9.06 | eV | NIST |
| log10WS | [-5.56; -5.51] |
|
|
| log10WS | -5.51 | Aq. Solubility Prediction | |
| log10WS | -5.56 | Estimated Solubility | |
| logPoct/wat | 4.300 | Crippen Calculated Property | |
| McVol | 120.600 | ml/mol | McGowan Calculated Property |
| Inp | [227.13; 1369.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1346.90 | NIST | |
| Inp | 1342.60 | NIST | |
| Inp | 1357.20 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1332.55 | NIST | |
| Inp | 1301.13 | NIST | |
| Inp | 1316.28 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1303.00 | NIST | |
| Inp | 1305.76 | NIST | |
| Inp | 1314.51 | NIST | |
| Inp | 1322.49 | NIST | |
| Inp | 1318.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1303.00 | NIST | |
| Inp | 1321.00 | NIST | |
| Inp | 1294.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | Outlier 229.00 | NIST | |
| Inp | Outlier 227.13 | NIST | |
| Inp | Outlier 227.19 | NIST | |
| Inp | Outlier 228.30 | NIST | |
| Inp | Outlier 229.00 | NIST | |
| Inp | 1321.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1332.55 | NIST | |
| Inp | 1326.00 | NIST | |
| I | [1764.00; 1842.50] |
|
|
| I | 1801.80 | NIST | |
| I | 1815.40 | NIST | |
| I | 1842.50 | NIST | |
| I | 1764.00 | NIST | |
| I | 1764.00 | NIST | |
| I | 1793.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1806.94 | NIST | |
| I | 1808.90 | NIST | |
| I | 1808.23 | NIST | |
| I | 1792.86 | NIST | |
| I | 1806.94 | NIST | |
| Tboil | 516.20 | K | NIST |
| Tfus | [318.00; 412.51] | K |
|
| Tfus | 412.51 | K | Aq. Solubility Prediction |
| Tfus | 412.20 ± 0.20 | K | NIST |
| Tfus | 318.00 ± 1.50 | K | NIST |
| Ttriple | 412.59 ± 0.07 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 202.50 | J/mol×K | 299.80 | NIST |
| ΔfusH | [24.10; 24.94] | kJ/mol | [410.10; 421.20] |
|
| ΔfusH | 24.40 | kJ/mol | 410.10 | NIST |
| ΔfusH | 24.10 | kJ/mol | 412.20 | NIST |
| ΔfusH | 24.94 | kJ/mol | 412.59 | NIST |
| ΔfusH | 24.90 | kJ/mol | 412.60 | NIST |
| ΔfusH | 24.10 | kJ/mol | 421.20 | NIST |
| ΔvapH | [52.00; 80.90] | kJ/mol | [298.15; 468.50] |
|
| ΔvapH | 80.90 | kJ/mol | 298.15 | Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach |
| ΔvapH | 52.00 | kJ/mol | 468.50 | NIST |
| ΔfusS | 60.40 | J/mol×K | 412.59 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.78; 234.31] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.79900e+01 | |||
| Coefficient B | 3.43600e-01 | |||
| Coefficient C | -2.14280e-04 | |||
| Coefficient D | 4.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 184.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 196.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 206.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 215.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 223.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 229.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 234.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008606; 0.0002797] | Pa×s | [380.90; 542.01] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08392e+01 | |||
| Coefficient B | 1.44032e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 380.90 | |||
| Temperature range, max. | 542.01 | |||
| η | 0.0008606 | Pa×s | 380.90 | Calculated Property |
| η | 0.0007263 | Pa×s | 398.80 | Calculated Property |
| η | 0.0006219 | Pa×s | 416.70 | Calculated Property |
| η | 0.0005394 | Pa×s | 434.61 | Calculated Property |
| η | 0.0004731 | Pa×s | 452.51 | Calculated Property |
| η | 0.0004191 | Pa×s | 470.41 | Calculated Property |
| η | 0.0003746 | Pa×s | 488.31 | Calculated Property |
| η | 0.0003375 | Pa×s | 506.21 | Calculated Property |
| η | 0.0003063 | Pa×s | 524.11 | Calculated Property |
| η | 0.0002797 | Pa×s | 542.01 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [380.62; 550.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40543e+01 | |||
| Coefficient B | -4.06667e+03 | |||
| Coefficient C | -8.52230e+01 | |||
| Temperature range, min. | 380.62 | |||
| Temperature range, max. | 550.37 | |||
| Pvap | 1.33 | kPa | 380.62 | Calculated Property |
| Pvap | 3.05 | kPa | 399.48 | Calculated Property |
| Pvap | 6.34 | kPa | 418.34 | Calculated Property |
| Pvap | 12.19 | kPa | 437.20 | Calculated Property |
| Pvap | 21.94 | kPa | 456.06 | Calculated Property |
| Pvap | 37.30 | kPa | 474.93 | Calculated Property |
| Pvap | 60.38 | kPa | 493.79 | Calculated Property |
| Pvap | 93.68 | kPa | 512.65 | Calculated Property |
| Pvap | 140.05 | kPa | 531.51 | Calculated Property |
| Pvap | 202.66 | kPa | 550.37 | Calculated Property |
| Pvap | [5.31; 100.95] | kPa | [419.00; 518.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.10552e+01 | |||
| Coefficient B | -1.07136e+04 | |||
| Coefficient C | 1.33655e+02 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 419.00 | |||
| Temperature range, max. | 518.00 | |||
| Pvap | 5.31 | kPa | 419.00 | Calculated Property |
| Pvap | 7.75 | kPa | 430.00 | Calculated Property |
| Pvap | 11.15 | kPa | 441.00 | Calculated Property |
| Pvap | 15.83 | kPa | 452.00 | Calculated Property |
| Pvap | 22.18 | kPa | 463.00 | Calculated Property |
| Pvap | 30.70 | kPa | 474.00 | Calculated Property |
| Pvap | 42.00 | kPa | 485.00 | Calculated Property |
| Pvap | 56.84 | kPa | 496.00 | Calculated Property |
| Pvap | 76.12 | kPa | 507.00 | Calculated Property |
| Pvap | 100.95 | kPa | 518.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,4,5-tetrachloro-.
Mixtures
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
- Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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