- InChI
- InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
- InChI Key
- CKAPSXZOOQJIBF-UHFFFAOYSA-N
- Formula
- C6Cl6
- SMILES
- Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
- Molecular Weight1
- 284.78
- CAS
- 118-74-1
- Other Names
-
- 1,2,3,4,5,6-Hexachlorobenzene
- AMATIN
- ANTICARIE
- Benzene, 1,2,3,4,5,6-hexachloro-
- Bunt-cure
- Bunt-no-more
- Ceku C.B.
- Co-op Hexa
- Esaclorobenzene
- Granox nm
- HCB
- Hexa C.B.
- Hexachlorbenzol
- Hexachlorobenzene
- Hexcachlorbenzen
- Julin's carbon chloride
- Julin's chloride
- NSC 9243
- No Bunt
- No Bunt 40
- No Bunt 80
- No Bunt Liquid
- PENTACHLOROPHENYLCHLORIDE
- Pentachlorophenyl chloride
- Perchlorobenzene
- Phenyl perchloryl
- Rcra waste number U127
- Saatbeizfungizid
- Sanocid
- Sanocide
- Smut-Go
- Snieciotox
- UN 2729
- ω : Acentric Factor.
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Psub : Sublimation 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5430 | KDB | |
| ΔcH°solid | [-2375.30; -2361.09] | kJ/mol |
|
| ΔcH°solid | -2361.09 | kJ/mol | NIST |
| ΔcH°solid | -2375.30 ± 4.20 | kJ/mol | NIST |
| EA | [0.92; 1.00] | eV |
|
| EA | 0.92 ± 0.10 | eV | NIST |
| EA | 1.00 | eV | NIST |
| ΔfG° | -7.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.70 | kJ/mol | NIST |
| ΔfH°solid | [-141.77; -127.60] | kJ/mol |
|
| ΔfH°solid | -141.77 | kJ/mol | NIST |
| ΔfH°solid | -127.60 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 23.92 | kJ/mol | Johari-... |
| ΔsubH° | [90.50; 96.80] | kJ/mol |
|
| ΔsubH° | 96.80 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 90.50 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | [74.40; 76.80] | kJ/mol |
|
| ΔvapH° | 74.40 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 76.80 | kJ/mol | NIST |
| IE | [8.98; 9.35] | eV |
|
| IE | 9.00 ± 0.10 | eV | NIST |
| IE | 8.98 | eV | NIST |
| IE | 9.00 ± 0.10 | eV | NIST |
| IE | 9.19 ± 0.03 | eV | NIST |
| IE | 9.35 | eV | NIST |
| IE | 9.31 ± 0.05 | eV | NIST |
| IE | 9.20 | eV | NIST |
| log10WS | -7.62 | Aq. Sol... | |
| logPoct/wat | 5.607 | Crippen Calculated Property | |
| McVol | 145.080 | ml/mol | McGowan Calculated Property |
| Pc | 3230.00 | kPa | KDB |
| Inp | [287.10; 1739.00] |
|
|
| Inp | 1678.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1700.10 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1693.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1693.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1739.00 | NIST | |
| Inp | 1661.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1734.00 | NIST | |
| Inp | 1734.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | Outlier 291.00 | NIST | |
| Inp | Outlier 289.80 | NIST | |
| Inp | Outlier 288.81 | NIST | |
| Inp | Outlier 287.10 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1734.00 | NIST | |
| I | [2153.00; 2204.00] |
|
|
| I | 2153.00 | NIST | |
| I | 2202.30 | NIST | |
| I | 2178.00 | NIST | |
| I | 2204.00 | NIST | |
| I | 2193.00 | NIST | |
| I | 2193.00 | NIST | |
| I | 2153.00 | NIST | |
| I | 2193.00 | NIST | |
| S°solid,1 bar | 260.24 | J/mol×K | NIST |
| Tboil | [582.60; 597.70] | K |
|
| Tboil | 582.60 | K | KDB |
| Tboil | 597.70 | K | NIST |
| Tc | 825.80 | K | KDB |
| Tfus | [500.00; 505.00] | K |
|
| Tfus | 503.00 | K | KDB |
| Tfus | 503.12 | K | Aq. Sol... |
| Tfus | 501.27 ± 0.20 | K | NIST |
| Tfus | 501.10 ± 0.20 | K | NIST |
| Tfus | 505.00 ± 0.10 | K | NIST |
| Tfus | 502.80 ± 0.50 | K | NIST |
| Tfus | 500.00 ± 2.50 | K | NIST |
| Ttriple | 502.02 ± 0.01 | K | NIST |
| Vc | 0.557 | m3/kmol | KDB |
| Zc | 0.2622620 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.40; 237.95] | J/mol×K | [612.84; 868.72] |
|
| Cp,gas | 216.40 | J/mol×K | 612.84 | Joback Calculated Property |
| Cp,gas | 220.80 | J/mol×K | 655.49 | Joback Calculated Property |
| Cp,gas | 224.86 | J/mol×K | 698.13 | Joback Calculated Property |
| Cp,gas | 228.60 | J/mol×K | 740.78 | Joback Calculated Property |
| Cp,gas | 232.03 | J/mol×K | 783.43 | Joback Calculated Property |
| Cp,gas | 235.14 | J/mol×K | 826.07 | Joback Calculated Property |
| Cp,gas | 237.95 | J/mol×K | 868.72 | Joback Calculated Property |
| Cp,solid | [201.29; 257.70] | J/mol×K | [298.15; 299.80] |
|
| Cp,solid | 201.29 | J/mol×K | 298.15 | NIST |
| Cp,solid | 257.70 | J/mol×K | 299.80 | NIST |
| η | [0.0002692; 0.0008967] | Pa×s | [425.92; 612.84] |
|
| η | 0.0008967 | Pa×s | 425.92 | Joback Calculated Property |
| η | 0.0006852 | Pa×s | 457.07 | Joback Calculated Property |
| η | 0.0005419 | Pa×s | 488.23 | Joback Calculated Property |
| η | 0.0004409 | Pa×s | 519.38 | Joback Calculated Property |
| η | 0.0003671 | Pa×s | 550.53 | Joback Calculated Property |
| η | 0.0003117 | Pa×s | 581.69 | Joback Calculated Property |
| η | 0.0002692 | Pa×s | 612.84 | Joback Calculated Property |
| ΔfusH | [23.85; 25.20] | kJ/mol | [501.87; 505.00] |
|
| ΔfusH | 24.96 | kJ/mol | 501.87 | NIST |
| ΔfusH | 25.20 | kJ/mol | 502.00 | NIST |
| ΔfusH | 25.18 | kJ/mol | 502.02 | NIST |
| ΔfusH | 23.85 | kJ/mol | 505.00 | NIST |
| ΔfusH | 23.85 | kJ/mol | 505.00 | NIST |
| ΔsubH | [62.70; 105.00] | kJ/mol | [278.00; 483.50] |
|
| ΔsubH | 77.40 ± 0.80 | kJ/mol | 278.00 | NIST |
| ΔsubH | 105.00 | kJ/mol | 285.50 | NIST |
| ΔsubH | 101.30 | kJ/mol | 303.00 | NIST |
| ΔsubH | 79.50 ± 1.20 | kJ/mol | 324.50 | NIST |
| ΔsubH | 89.60 ± 0.20 | kJ/mol | 337.00 | NIST |
| ΔsubH | 94.70 | kJ/mol | 343.50 | NIST |
| ΔsubH | 92.00 ± 8.20 | kJ/mol | 383.00 | NIST |
| ΔsubH | 62.70 | kJ/mol | 444.50 | NIST |
| ΔsubH | 85.50 | kJ/mol | 483.50 | NIST |
| ΔvapH | [60.50; 81.30] | kJ/mol | [285.50; 582.60] |
|
| ΔvapH | 81.30 | kJ/mol | 285.50 | NIST |
| ΔvapH | 68.60 | kJ/mol | 398.00 | NIST |
| ΔvapH | 60.50 | kJ/mol | 484.50 | NIST |
| ΔvapH | 68.70 | kJ/mol | 545.50 | NIST |
| ΔvapH | 63.59 | kJ/mol | 582.60 | KDB |
| Psub | [1.44e-03; 0.17] | kPa | [358.00; 425.70] |
|
| Psub | 1.44e-03 | kPa | 358.00 | Thermoc... |
| Psub | 2.16e-03 | kPa | 362.90 | Thermoc... |
| Psub | 3.73e-03 | kPa | 368.90 | Thermoc... |
| Psub | 5.19e-03 | kPa | 373.10 | Thermoc... |
| Psub | 7.71e-03 | kPa | 377.80 | Thermoc... |
| Psub | 0.01 | kPa | 382.90 | Thermoc... |
| Psub | 0.02 | kPa | 389.00 | Thermoc... |
| Psub | 0.02 | kPa | 392.80 | Thermoc... |
| Psub | 0.04 | kPa | 397.50 | Vapor P... |
| Psub | 0.03 | kPa | 397.90 | Thermoc... |
| Psub | 0.05 | kPa | 400.40 | Vapor P... |
| Psub | 0.04 | kPa | 400.80 | Vapor P... |
| Psub | 0.05 | kPa | 401.20 | Vapor P... |
| Psub | 0.05 | kPa | 402.00 | Vapor P... |
| Psub | 0.05 | kPa | 402.80 | Thermoc... |
| Psub | 0.06 | kPa | 402.80 | Vapor P... |
| Psub | 0.05 | kPa | 403.60 | Vapor P... |
| Psub | 0.06 | kPa | 404.10 | Vapor P... |
| Psub | 0.05 | kPa | 404.50 | Vapor P... |
| Psub | 0.06 | kPa | 404.90 | Vapor P... |
| Psub | 0.05 | kPa | 405.30 | Vapor P... |
| Psub | 0.06 | kPa | 405.80 | Vapor P... |
| Psub | 0.05 | kPa | 406.10 | Vapor P... |
| Psub | 0.06 | kPa | 406.50 | Vapor P... |
| Psub | 0.06 | kPa | 407.00 | Vapor P... |
| Psub | 0.06 | kPa | 407.40 | Vapor P... |
| Psub | 0.06 | kPa | 407.80 | Vapor P... |
| Psub | 0.07 | kPa | 408.20 | Vapor P... |
| Psub | 0.07 | kPa | 408.60 | Vapor P... |
| Psub | 0.08 | kPa | 409.00 | Vapor P... |
| Psub | 0.07 | kPa | 409.40 | Vapor P... |
| Psub | 0.08 | kPa | 409.80 | Vapor P... |
| Psub | 0.08 | kPa | 410.20 | Vapor P... |
| Psub | 0.07 | kPa | 410.60 | Vapor P... |
| Psub | 0.07 | kPa | 411.00 | Vapor P... |
| Psub | 0.09 | kPa | 411.40 | Vapor P... |
| Psub | 0.07 | kPa | 411.90 | Vapor P... |
| Psub | 0.08 | kPa | 412.30 | Vapor P... |
| Psub | 0.08 | kPa | 412.70 | Vapor P... |
| Psub | 0.08 | kPa | 413.20 | Vapor P... |
| Psub | 0.09 | kPa | 413.60 | Vapor P... |
| Psub | 0.09 | kPa | 414.00 | Vapor P... |
| Psub | 0.09 | kPa | 414.40 | Vapor P... |
| Psub | 0.09 | kPa | 414.90 | Vapor P... |
| Psub | 0.09 | kPa | 415.30 | Vapor P... |
| Psub | 0.10 | kPa | 415.70 | Vapor P... |
| Psub | 0.09 | kPa | 416.10 | Vapor P... |
| Psub | 0.10 | kPa | 416.50 | Vapor P... |
| Psub | 0.10 | kPa | 417.00 | Vapor P... |
| Psub | 0.11 | kPa | 417.40 | Vapor P... |
| Psub | 0.12 | kPa | 417.80 | Vapor P... |
| Psub | 0.11 | kPa | 418.20 | Vapor P... |
| Psub | 0.11 | kPa | 418.60 | Vapor P... |
| Psub | 0.13 | kPa | 419.10 | Vapor P... |
| Psub | 0.13 | kPa | 419.50 | Vapor P... |
| Psub | 0.12 | kPa | 419.90 | Vapor P... |
| Psub | 0.13 | kPa | 420.30 | Vapor P... |
| Psub | 0.13 | kPa | 420.70 | Vapor P... |
| Psub | 0.13 | kPa | 421.10 | Vapor P... |
| Psub | 0.13 | kPa | 421.50 | Vapor P... |
| Psub | 0.14 | kPa | 421.90 | Vapor P... |
| Psub | 0.14 | kPa | 422.30 | Vapor P... |
| Psub | 0.14 | kPa | 422.80 | Vapor P... |
| Psub | 0.16 | kPa | 423.20 | Vapor P... |
| Psub | 0.15 | kPa | 423.60 | Vapor P... |
| Psub | 0.15 | kPa | 424.00 | Vapor P... |
| Psub | 0.15 | kPa | 424.40 | Vapor P... |
| Psub | 0.17 | kPa | 424.80 | Vapor P... |
| Psub | 0.17 | kPa | 425.70 | Vapor P... |
| ΔfusS | 50.20 | J/mol×K | 502.02 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [448.33; 639.86] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.18922e+01 | |||
| Coefficient B | -2.91145e+03 | |||
| Coefficient C | -1.97439e+02 | |||
| Temperature range, min. | 448.33 | |||
| Temperature range, max. | 639.86 | |||
| Pvap | 1.33 | kPa | 448.33 | Calculated Property |
| Pvap | 3.30 | kPa | 469.61 | Calculated Property |
| Pvap | 7.18 | kPa | 490.89 | Calculated Property |
| Pvap | 14.04 | kPa | 512.17 | Calculated Property |
| Pvap | 25.22 | kPa | 533.45 | Calculated Property |
| Pvap | 42.25 | kPa | 554.74 | Calculated Property |
| Pvap | 66.80 | kPa | 576.02 | Calculated Property |
| Pvap | 100.58 | kPa | 597.30 | Calculated Property |
| Pvap | 145.32 | kPa | 618.58 | Calculated Property |
| Pvap | 202.65 | kPa | 639.86 | Calculated Property |
| Pvap | [0.13; 2564.05] | kPa | [387.15; 825.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -1.10122e+02 | |||
| Coefficient B | -1.18239e+03 | |||
| Coefficient C | 1.89428e+01 | |||
| Coefficient D | -1.14651e-05 | |||
| Temperature range, min. | 387.15 | |||
| Temperature range, max. | 825.00 | |||
| Pvap | 0.13 | kPa | 387.15 | Calculated Property |
| Pvap | 1.11 | kPa | 435.80 | Calculated Property |
| Pvap | 6.49 | kPa | 484.45 | Calculated Property |
| Pvap | 28.16 | kPa | 533.10 | Calculated Property |
| Pvap | 95.18 | kPa | 581.75 | Calculated Property |
| Pvap | 259.28 | kPa | 630.40 | Calculated Property |
| Pvap | 584.14 | kPa | 679.05 | Calculated Property |
| Pvap | 1110.56 | kPa | 727.70 | Calculated Property |
| Pvap | 1810.55 | kPa | 776.35 | Calculated Property |
| Pvap | 2564.05 | kPa | 825.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, hexachloro-.
Mixtures
- pentachlorophenol + Benzene, hexachloro-
- Benzene, hexachloro- + Water
- sodium chloride + Benzene, hexachloro- + Water
- potassium chloride + Benzene, hexachloro- + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
- Johari-Goldstein relaxation in orientationally disordered phase of hexa-substituted benzenes
- The Effects of Temperature and Inorganic Salts on the Aqueous Solubility of Selected Chlorobenzenes
- Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
- Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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