- 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).
- 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).
- 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 | -2634.28 ± 0.48 | kJ/mol | NIST |
| ΔfG° | 35.44 | kJ/mol | Joback Calculated Property |
| 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. Sol... | |
| log10WS | -4.63 | Estimat... | |
| logPoct/wat | 4.300 | Crippen Calculated Property | |
| McVol | 120.600 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback 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 | 1304.58 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | Outlier 228.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1326.00 | 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 |
| Tc | 774.01 | K | Joback Calculated Property |
| Tfus | [323.90; 326.65] | K |
|
| Tfus | 326.65 | K | Aq. Sol... |
| Tfus | 323.90 ± 0.20 | K | NIST |
| Ttriple | 323.77 ± 0.01 | 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 |
| 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 Yaw...
|
| 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
- 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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