Chemical Properties of Benzene, 1,2,4,5-tetrachloro- (CAS 95-94-3)

Benzene, 1,2,4,5-tetrachloro-

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InChI
InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChI Key
JHBKHLUZVFWLAG-UHFFFAOYSA-N
Formula
C6H2Cl4
SMILES
Clc1cc(Cl)c(Cl)cc1Cl
Molecular Weight1
215.89
CAS
95-94-3
Other Names
  • 1,2,4,5-Tetrachlorobenzene
  • Rcra waste number U207
  • s-Tetrachlorobenzene
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Physical Properties

Property Value Unit Source
Δcsolid -2631.24 kJ/mol NIST
EA 0.45 eV NIST
Δf 35.44 kJ/mol Joback Calculated Property
Δfgas -32.62 kJ/mol NIST
Δfsolid -110.19 kJ/mol NIST
Δfus 20.96 kJ/mol Joback Calculated Property
Δsub 83.20 ± 0.30 kJ/mol NIST
Δvap 60.70 kJ/mol NIST
IE [8.90; 9.20] eV Show Hide
IE 9.00 eV NIST
IE 8.90 eV NIST
IE 9.07 eV NIST
IE 9.15 ± 0.03 eV NIST
IE 9.20 ± 0.05 eV NIST
IE 9.06 eV NIST
log10WS [-5.56; -5.51]   Show Hide
log10WS -5.51 Aq. Sol...
log10WS -5.56 Estimat...
logPoct/wat 4.300 Crippen Calculated Property
McVol 120.600 ml/mol McGowan Calculated Property
Pc 3646.53 kPa Joback Calculated Property
Inp [227.13; 1369.00]   Show Hide
Inp 1347.00 NIST
Inp 1346.90 NIST
Inp 1342.60 NIST
Inp 1357.20 NIST
Inp 1328.00 NIST
Inp 1332.55 NIST
Inp 1301.13 NIST
Inp 1316.28 NIST
Inp 1326.00 NIST
Inp 1344.00 NIST
Inp 1326.00 NIST
Inp 1329.00 NIST
Inp 1344.00 NIST
Inp 1303.00 NIST
Inp 1305.76 NIST
Inp 1314.51 NIST
Inp 1322.49 NIST
Inp 1318.00 NIST
Inp 1311.00 NIST
Inp 1306.00 NIST
Inp 1306.00 NIST
Inp 1303.00 NIST
Inp 1321.00 NIST
Inp 1294.00 NIST
Inp 1326.00 NIST
Inp 1348.00 NIST
Inp 1357.00 NIST
Inp 1369.00 NIST
Inp Outlier 229.00 NIST
Inp Outlier 227.13 NIST
Inp Outlier 227.19 NIST
Inp Outlier 228.30 NIST
Inp 1326.00 NIST
I [1764.00; 1842.50]   Show Hide
I 1801.80 NIST
I 1815.40 NIST
I 1842.50 NIST
I 1764.00 NIST
I 1764.00 NIST
I 1793.00 NIST
I 1830.00 NIST
I 1806.94 NIST
I 1808.90 NIST
I 1808.23 NIST
I 1792.86 NIST
Tboil 516.20 K NIST
Tc 774.01 K Joback Calculated Property
Tfus [318.00; 412.51] K Show Hide
Tfus 412.51 K Aq. Sol...
Tfus 412.20 ± 0.20 K NIST
Tfus 318.00 ± 1.50 K NIST
Ttriple 412.59 ± 0.07 K NIST
Vc 0.460 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [186.59; 217.36] J/mol×K [528.02; 774.01] Show Hide
Cp,gas 186.59 J/mol×K 528.02 Joback Calculated Property
Cp,gas 192.78 J/mol×K 569.02 Joback Calculated Property
Cp,gas 198.52 J/mol×K 610.02 Joback Calculated Property
Cp,gas 203.83 J/mol×K 651.01 Joback Calculated Property
Cp,gas 208.73 J/mol×K 692.01 Joback Calculated Property
Cp,gas 213.23 J/mol×K 733.01 Joback Calculated Property
Cp,gas 217.36 J/mol×K 774.01 Joback Calculated Property
Cp,solid 202.50 J/mol×K 299.80 NIST
η [0.0003001; 0.0013389] Pa×s [341.04; 528.02] Show Hide
η 0.0013389 Pa×s 341.04 Joback Calculated Property
η 0.0009401 Pa×s 372.20 Joback Calculated Property
η 0.0006972 Pa×s 403.37 Joback Calculated Property
η 0.0005397 Pa×s 434.53 Joback Calculated Property
η 0.0004323 Pa×s 465.69 Joback Calculated Property
η 0.0003561 Pa×s 496.86 Joback Calculated Property
η 0.0003001 Pa×s 528.02 Joback Calculated Property
ΔfusH [24.10; 24.94] kJ/mol [410.10; 421.20] Show Hide
ΔfusH 24.40 kJ/mol 410.10 NIST
ΔfusH 24.10 kJ/mol 412.20 NIST
ΔfusH 24.94 kJ/mol 412.59 NIST
ΔfusH 24.90 kJ/mol 412.60 NIST
ΔfusH 24.10 kJ/mol 421.20 NIST
ΔvapH 52.00 kJ/mol 468.50 NIST
ΔfusS 60.40 J/mol×K 412.59 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [380.62; 550.37] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40543e+01
Coefficient B-4.06667e+03
Coefficient C-8.52230e+01
Temperature range, min.380.62
Temperature range, max.550.37
Pvap 1.33 kPa 380.62 Calculated Property
Pvap 3.05 kPa 399.48 Calculated Property
Pvap 6.34 kPa 418.34 Calculated Property
Pvap 12.19 kPa 437.20 Calculated Property
Pvap 21.94 kPa 456.06 Calculated Property
Pvap 37.30 kPa 474.93 Calculated Property
Pvap 60.38 kPa 493.79 Calculated Property
Pvap 93.68 kPa 512.65 Calculated Property
Pvap 140.05 kPa 531.51 Calculated Property
Pvap 202.66 kPa 550.37 Calculated Property

Similar Compounds

Benzene, pentachloro-. Benzene, 1,2,3,5-tetrachloro-. Benzene, 1,2,4-trichloro-. Benzene, 1,2,3,4-tetrachloro-. Benzene, 1,2,3-trichloro-. Benzene, 1,2-dichloro-. 1,2-Dichlorobenzene-D4. 1,3-Cyclohexadien-5-yne,1,4-dichloro-. Benzene, 1,4-dichloro-. 1,4-Dichlorobenzene-D4. 2,3,5,6-Tetrachloroiodobenzene. Benzene, 1,3-dichloro-. Benzene, 1,3,5-trichloro-. Naphthalene, 1,2,4,5,6,8-hexachloro. Naphthalene, 1,2,4,5,7,8-hexachloro.

Find more compounds similar to Benzene, 1,2,4,5-tetrachloro-.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.