- 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).
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- 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).
- 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°solid | -2631.24 | kJ/mol | NIST |
| EA | 0.45 | eV | NIST |
| ΔfG° | 35.44 | kJ/mol | Joback Calculated Property |
| 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. Sol... | |
| log10WS | -5.56 | Estimat... | |
| logPoct/wat | 4.300 | Crippen Calculated Property | |
| McVol | 120.600 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback 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 | 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 | |
| Tboil | 516.20 | K | NIST |
| Tc | 774.01 | K | Joback Calculated Property |
| Tfus | [318.00; 412.51] | K |
|
| Tfus | 412.51 | K | Aq. Sol... |
| Tfus | 412.20 ± 0.20 | K | NIST |
| Tfus | 318.00 ± 1.50 | K | NIST |
| Ttriple | 412.59 ± 0.07 | K | NIST |
| Vc | 0.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.59; 217.36] | J/mol×K | [528.02; 774.01] |
|
| Cp,gas | 186.59 | J/mol×K | 528.02 | Joback Calculated Property |
| Cp,gas | 192.78 | J/mol×K | 569.02 | Joback Calculated Property |
| Cp,gas | 198.52 | J/mol×K | 610.02 | Joback Calculated Property |
| Cp,gas | 203.83 | J/mol×K | 651.01 | Joback Calculated Property |
| Cp,gas | 208.73 | J/mol×K | 692.01 | Joback Calculated Property |
| Cp,gas | 213.23 | J/mol×K | 733.01 | Joback Calculated Property |
| Cp,gas | 217.36 | J/mol×K | 774.01 | Joback Calculated Property |
| Cp,solid | 202.50 | J/mol×K | 299.80 | NIST |
| η | [0.0003001; 0.0013389] | Pa×s | [341.04; 528.02] |
|
| η | 0.0013389 | Pa×s | 341.04 | Joback Calculated Property |
| η | 0.0009401 | Pa×s | 372.20 | Joback Calculated Property |
| η | 0.0006972 | Pa×s | 403.37 | Joback Calculated Property |
| η | 0.0005397 | Pa×s | 434.53 | Joback Calculated Property |
| η | 0.0004323 | Pa×s | 465.69 | Joback Calculated Property |
| η | 0.0003561 | Pa×s | 496.86 | Joback Calculated Property |
| η | 0.0003001 | Pa×s | 528.02 | Joback Calculated Property |
| 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 | kJ/mol | 468.50 | NIST |
| ΔfusS | 60.40 | J/mol×K | 412.59 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [380.62; 550.37] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 |
Similar Compounds
Find more compounds similar to Benzene, 1,2,4,5-tetrachloro-.
Mixtures
Sources
- Crippen Method
- Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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