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

Benzene, hexachloro-

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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
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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
Δf -7.68 kJ/mol Joback Calculated Property
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-...
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. 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]   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 2153.00 NIST
I 2193.00 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. 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] 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 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] Show Hide
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] Show Hide
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... 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 Vap... 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-. Benzene, pentachlorofluoro-. 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.