- InChI
- InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
- InChI Key
- GBDZXPJXOMHESU-UHFFFAOYSA-N
- Formula
- C6H2Cl4
- SMILES
- Clc1ccc(Cl)c(Cl)c1Cl
- Molecular Weight1
- 215.89
- CAS
- 634-66-2
- Other Names
-
- 1,2,3,4-tetrachlorobenzene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.4018 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2642.22 ± 0.74 | kJ/mol | NIST |
| ΔfG° | 35.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.40 | kJ/mol | NIST |
| ΔfusH° | 20.96 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [60.84; 78.80] | kJ/mol |
|
| ΔsubH° | 78.80 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 60.84 | kJ/mol | NIST |
| ΔvapH° | 60.10 | kJ/mol | NIST |
| IE | [8.90; 9.23] | eV |
|
| IE | 8.90 | eV | NIST |
| IE | 9.23 ± 0.03 | eV | NIST |
| IE | 9.11 | eV | NIST |
| log10WS | [-4.63; -4.57] |
|
|
| log10WS | -4.63 | Aq. Solubility Prediction | |
| log10WS | -4.57 | Estimated Solubility | |
| logPoct/wat | 4.300 | Crippen Calculated Property | |
| McVol | 120.600 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Inp | [219.20; 1411.00] |
|
|
| Inp | 1388.00 | NIST | |
| Inp | 1385.40 | NIST | |
| Inp | 1385.30 | NIST | |
| Inp | 1402.30 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1377.18 | NIST | |
| Inp | 1343.88 | NIST | |
| Inp | 1359.50 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Inp | 1352.40 | NIST | |
| Inp | 1362.21 | NIST | |
| Inp | 1369.92 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1383.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Inp | Outlier 237.00 | NIST | |
| Inp | Outlier 219.20 | NIST | |
| Inp | 1388.00 | NIST | |
| Inp | 1377.18 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1352.40 | NIST | |
| Inp | 1353.00 | NIST | |
| Ip | [1908.00; 1968.20] |
|
|
| Ip | 1914.10 | NIST | |
| Ip | 1938.00 | NIST | |
| Ip | 1968.20 | NIST | |
| Ip | 1908.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1951.96 | NIST | |
| Ip | 1931.77 | NIST | |
| Ip | 1944.44 | NIST | |
| Ip | 1920.95 | NIST | |
| Ip | 1914.10 | NIST | |
| Tboil | 527.20 | K | NIST |
| Tc | 776.68 | K | Relay (1.0) Calculated Property |
| Tfus | [320.00; 320.40] | K |
|
| Tfus | 320.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 320.40 | K | Aq. Solubility Prediction |
| Tfus | 320.00 ± 0.20 | K | NIST |
| Ttriple | 319.68 ± 0.03 | K | NIST |
| Vc | 0.447 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 527.20 | K | 101.00 | 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 | [0.0017608; 0.0002797] | Pa×s | [320.27; 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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 320.27 | |||
| Temperature range, max. | 542.01 | |||
| η | 0.0017608 | Pa×s | 320.27 | Calculated Property |
| η | 0.0012770 | Pa×s | 344.90 | Calculated Property |
| η | 0.0009667 | Pa×s | 369.54 | Calculated Property |
| η | 0.0007577 | Pa×s | 394.18 | Calculated Property |
| η | 0.0006111 | Pa×s | 418.82 | Calculated Property |
| η | 0.0005048 | Pa×s | 443.46 | Calculated Property |
| η | 0.0004255 | Pa×s | 468.10 | Calculated Property |
| η | 0.0003648 | Pa×s | 492.73 | Calculated Property |
| η | 0.0003174 | Pa×s | 517.37 | Calculated Property |
| η | 0.0002797 | Pa×s | 542.01 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [387.40; 562.66] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39017e+01 | |||
| Coefficient B | -4.07979e+03 | |||
| Coefficient C | -8.77250e+01 | |||
| Temperature range, min. | 387.40 | |||
| Temperature range, max. | 562.66 | |||
| Pvap | 1.33 | kPa | 387.40 | Calculated Property |
| Pvap | 3.06 | kPa | 406.87 | Calculated Property |
| Pvap | 6.38 | kPa | 426.35 | Calculated Property |
| Pvap | 12.29 | kPa | 445.82 | Calculated Property |
| Pvap | 22.11 | kPa | 465.29 | Calculated Property |
| Pvap | 37.57 | kPa | 484.77 | Calculated Property |
| Pvap | 60.74 | kPa | 504.24 | Calculated Property |
| Pvap | 94.08 | kPa | 523.71 | Calculated Property |
| Pvap | 140.36 | kPa | 543.19 | Calculated Property |
| Pvap | 202.65 | kPa | 562.66 | Calculated Property |
| Pvap | [0.13; 102.96] | kPa | [341.70; 527.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50104e+01 | |||
| Coefficient B | -4.90874e+03 | |||
| Coefficient C | -5.39160e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 341.70 | |||
| Temperature range, max. | 527.00 | |||
| Pvap | 0.13 | kPa | 341.70 | Calculated Property |
| Pvap | 0.40 | kPa | 362.29 | Calculated Property |
| Pvap | 1.09 | kPa | 382.88 | Calculated Property |
| Pvap | 2.63 | kPa | 403.47 | Calculated Property |
| Pvap | 5.75 | kPa | 424.06 | Calculated Property |
| Pvap | 11.56 | kPa | 444.64 | Calculated Property |
| Pvap | 21.68 | kPa | 465.23 | Calculated Property |
| Pvap | 38.29 | kPa | 485.82 | Calculated Property |
| Pvap | 64.21 | kPa | 506.41 | Calculated Property |
| Pvap | 102.96 | kPa | 527.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3,4-tetrachloro-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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