- InChI
- InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
- InChI Key
- QZYNWJQFTJXIRN-UHFFFAOYSA-N
- Formula
- C6H2Cl4
- SMILES
- Clc1cc(Cl)c(Cl)c(Cl)c1
- Molecular Weight1
- 215.89
- CAS
- 634-90-2
- Other Names
-
- 1,2,3,5-Tetrachlorobenzene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : 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 | -2634.28 ± 0.48 | kJ/mol | NIST |
| ΔfH°gas | -34.90 | kJ/mol | NIST |
| ΔfusH° | 20.96 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [59.66; 79.60] | kJ/mol |
|
| ΔsubH° | 79.60 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 59.66 | kJ/mol | NIST |
| ΔvapH° | 60.70 | kJ/mol | NIST |
| IE | [9.02; 9.26] | eV |
|
| IE | 9.02 | eV | NIST |
| IE | 9.26 ± 0.03 | eV | NIST |
| IE | 9.16 | eV | NIST |
| log10WS | [-4.65; -4.63] |
|
|
| log10WS | -4.65 | Aq. Solubility Prediction | |
| log10WS | -4.63 | Estimated Solubility | |
| logPoct/wat | 4.300 | Crippen Calculated Property | |
| McVol | 120.600 | ml/mol | McGowan Calculated Property |
| Inp | [221.30; 1369.00] |
|
|
| Inp | 1338.20 | NIST | |
| Inp | 1338.20 | NIST | |
| Inp | 1353.80 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1331.36 | NIST | |
| Inp | 1299.65 | NIST | |
| Inp | 1314.62 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1304.58 | NIST | |
| Inp | 1313.21 | NIST | |
| Inp | 1320.19 | NIST | |
| Inp | 1317.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1317.00 | NIST | |
| Inp | 1294.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1317.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | Outlier 228.00 | NIST | |
| Inp | Outlier 221.30 | NIST | |
| Inp | 1317.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1304.58 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | Outlier 228.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1338.20 | NIST | |
| Inp | 1299.65 | NIST | |
| Inp | 1329.00 | NIST | |
| I | [1754.00; 1824.00] |
|
|
| I | 1790.60 | NIST | |
| I | 1823.70 | NIST | |
| I | 1754.00 | NIST | |
| I | 1754.00 | NIST | |
| I | 1786.00 | NIST | |
| I | 1824.00 | NIST | |
| I | 1813.33 | NIST | |
| I | 1802.65 | NIST | |
| I | 1782.97 | NIST | |
| I | 1790.60 | NIST | |
| I | 1824.00 | NIST | |
| I | 1813.33 | NIST | |
| Tboil | 519.20 | K | NIST |
| Tfus | [323.90; 326.65] | K |
|
| Tfus | 326.65 | K | Aq. Solubility Prediction |
| Tfus | 323.90 ± 0.20 | K | NIST |
| Ttriple | 323.77 ± 0.01 | 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,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 |
| 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 | [18.32; 19.00] | kJ/mol | [323.77; 323.90] |
|
| ΔfusH | 18.32 | kJ/mol | 323.77 | NIST |
| ΔfusH | 19.00 | kJ/mol | 323.90 | NIST |
| ΔfusH | 19.00 | kJ/mol | 323.90 | NIST |
| ΔvapH | 51.10 | kJ/mol | 425.00 | NIST |
| ΔfusS | 56.60 | J/mol×K | 323.77 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [381.00; 554.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38783e+01 | |||
| Coefficient B | -4.01603e+03 | |||
| Coefficient C | -8.55010e+01 | |||
| Temperature range, min. | 381.00 | |||
| Temperature range, max. | 554.29 | |||
| Pvap | 1.33 | kPa | 381.00 | Calculated Property |
| Pvap | 3.06 | kPa | 400.25 | Calculated Property |
| Pvap | 6.39 | kPa | 419.51 | Calculated Property |
| Pvap | 12.30 | kPa | 438.76 | Calculated Property |
| Pvap | 22.14 | kPa | 458.02 | Calculated Property |
| Pvap | 37.61 | kPa | 477.27 | Calculated Property |
| Pvap | 60.80 | kPa | 496.53 | Calculated Property |
| Pvap | 94.14 | kPa | 515.78 | Calculated Property |
| Pvap | 140.41 | kPa | 535.04 | Calculated Property |
| Pvap | 202.65 | kPa | 554.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3,5-tetrachloro-.
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
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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