Chemical Properties of Benzene, hexachloro- (CAS 118-74-1)

Benzene, hexachloro-

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
  • Hexcachlorbenzen
  • Julin's carbon chloride
  • Julin's chloride
  • NSC 9243
  • No Bunt
  • No Bunt 40
  • No Bunt 80
  • No Bunt Liquid
  • PENTACHLOROPHENYLCHLORIDE
  • Phenyl perchloryl
  • Rcra waste number U127
  • Saatbeizfungizid
  • Sanocid
  • Sanocide
  • Smut-Go
  • Snieciotox
  • UN 2729
  • hexachlorobenzene
  • pentachlorophenyl chloride
  • perchlorobenzene
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Physical Properties

Property Value Unit Source
ω 0.5430 KDB
Δcsolid [-2375.30; -2361.09] kJ/mol Show Hide
Δcsolid -2361.09 kJ/mol NIST
Δcsolid -2375.30 ± 4.20 kJ/mol NIST
EA [0.92; 1.00] eV Show Hide
EA 0.92 ± 0.10 eV NIST
EA 1.00 eV NIST
Δfgas -44.70 kJ/mol NIST
Δfsolid [-141.77; -127.60] kJ/mol Show Hide
Δfsolid -141.77 kJ/mol NIST
Δfsolid -127.60 ± 4.20 kJ/mol NIST
Δfus 23.92 kJ/mol Johari-Goldstein relaxation in orientationally disordered phase of hexa-substituted benzenes
Δsub [90.50; 96.80] kJ/mol Show Hide
Δsub 96.80 ± 0.50 kJ/mol NIST
Δsub 90.50 ± 0.20 kJ/mol NIST
Δvap [74.40; 76.80] kJ/mol Show Hide
Δvap 74.40 ± 0.70 kJ/mol NIST
Δvap 76.80 kJ/mol NIST
IE [8.98; 9.35] eV Show Hide
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. Solubility Prediction
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]   Show Hide
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]   Show Hide
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 2193.00 NIST
I 2153.00 NIST
solid,1 bar 260.24 J/mol×K NIST
Tboil [582.60; 597.70] K Show Hide
Tboil 582.60 K KDB
Tboil 597.70 K NIST
Tc 825.80 K KDB
Tfus [500.00; 505.00] K Show Hide
Tfus 503.00 K KDB
Tfus 503.12 K Aq. Solubility Prediction
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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [216.40; 237.95] J/mol×K [612.84; 868.72] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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 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; 94.30] kJ/mol [285.50; 582.60] Show Hide
ΔvapH 81.30 kJ/mol 285.50 NIST
ΔvapH 94.30 kJ/mol 298.15 Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
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] Show Hide
Psub 1.44e-03 kPa 358.00 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 2.16e-03 kPa 362.90 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 3.73e-03 kPa 368.90 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 5.19e-03 kPa 373.10 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 7.71e-03 kPa 377.80 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 0.01 kPa 382.90 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 0.02 kPa 389.00 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 0.02 kPa 392.80 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 0.04 kPa 397.50 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.03 kPa 397.90 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 0.05 kPa 400.40 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.04 kPa 400.80 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.05 kPa 401.20 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.05 kPa 402.00 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.06 kPa 402.80 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.05 kPa 402.80 Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions
Psub 0.05 kPa 403.60 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.06 kPa 404.10 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.05 kPa 404.50 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.06 kPa 404.90 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.05 kPa 405.30 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.06 kPa 405.80 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.05 kPa 406.10 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.06 kPa 406.50 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.06 kPa 407.00 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.06 kPa 407.40 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.06 kPa 407.80 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.07 kPa 408.20 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.07 kPa 408.60 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.08 kPa 409.00 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.07 kPa 409.40 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.08 kPa 409.80 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.08 kPa 410.20 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.07 kPa 410.60 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.07 kPa 411.00 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.09 kPa 411.40 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.07 kPa 411.90 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.08 kPa 412.30 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.08 kPa 412.70 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.08 kPa 413.20 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.09 kPa 413.60 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.09 kPa 414.00 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.09 kPa 414.40 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.09 kPa 414.90 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.09 kPa 415.30 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.10 kPa 415.70 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.09 kPa 416.10 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.10 kPa 416.50 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.10 kPa 417.00 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.11 kPa 417.40 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.12 kPa 417.80 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.11 kPa 418.20 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.11 kPa 418.60 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.13 kPa 419.10 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.13 kPa 419.50 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.12 kPa 419.90 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.13 kPa 420.30 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.13 kPa 420.70 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.13 kPa 421.10 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.13 kPa 421.50 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.14 kPa 421.90 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.14 kPa 422.30 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.14 kPa 422.80 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.16 kPa 423.20 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.15 kPa 423.60 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.15 kPa 424.00 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.15 kPa 424.40 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.17 kPa 424.80 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
Psub 0.17 kPa 425.70 Vapor Pressures and Standard Molar Enthalpies, Entropies and Gibbs energies of Sublimation of two hexachloro herbicides using a TG unit
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 Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.18922e+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 Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A-1.10122e+02
Coefficient B-1.18239e+03
Coefficient C1.89428e+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

1,3-Cyclohexadien-5-yne, 1,2,3,4-tetrachloro-. Naphthalene, octachloro-. Benzene, pentachloro-. 1-Fluoropentachlorobenzene. Benzene, 1,2,4,5-tetrachloro-. Benzene, 1,2,3,4-tetrachloro-. Benzene, 1,2,3,5-tetrachloro-. Benzene, 1,2,3,5-tetrachloro-4,6-difluoro-. Benzonitrile, pentachloro-. pentachlorophenol. Benzenethiol, pentachloro-. Benzene, 1,2,4-trichloro-. Benzene, 1,2,3-trichloro-. 2,3,4,5,6-Pentachloroaniline. Benzene, 1,3,5-trichloro-.

Find more compounds similar to Benzene, hexachloro-.

Mixtures

Sources

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