- 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 215 220 225 230 235 240 700 800 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 3.00e-4 4.00e-4 5.00e-4 6.00e-4 7.00e-4 8.00e-4 9.00e-4 450 500 550 600 | ||||
| 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] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 23.8 24 24.2 24.4 24.6 24.8 25 25.2 502 503 504 505 | ||||
| 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] |
|
|
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 60 70 80 90 100 300 350 400 450 | ||||
| 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] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 60 65 70 75 80 300 400 500 | ||||
| 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] |
|
|
T(K) Sublimation pressure (kPa) 0 0.05 0.1 0.15 360 380 400 420 | ||||
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600 | ||||
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 400 600 800 | ||||
| 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.
Take the time to validate and double check the source of the data.
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