Chemical Properties of 3,4,5-trichlorodiphenyl ether

3,4,5-trichlorodiphenyl ether

InChI
InChI=1S/C12H7Cl3O/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7H
InChI Key
ZQCCHNBMSHOJAT-UHFFFAOYSA-N
Formula
C12H7Cl3O
SMILES
Clc1cc(Oc2ccccc2)cc(Cl)c1Cl
Molecular Weight1
273.55
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Physical Properties

Property Value Unit Source
ω 0.5412 Relay (1.0) Calculated Property
ΔfH°gas -19.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.53 kJ/mol Joback Calculated Property
ΔvapH° 83.55 kJ/mol Relay (1.0) Calculated Property
IE 8.28 eV Relay (1.0) Calculated Property
log10WS -6.77 Aq. Solubility Prediction
logPoct/wat 5.439 Crippen Calculated Property
McVol 175.010 ml/mol McGowan Calculated Property
Pc 2826.33 kPa Joback Calculated Property
Tboil 605.30 K Relay (1.0) Calculated Property
Tc 885.95 K Relay (1.0) Calculated Property
Tfus 329.00 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [208.80; 435.56] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.12400e+01
Coefficient B7.64700e-01
Coefficient C-4.40480e-04
Coefficient D8.01000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 208.80 J/mol×K 273.00 Calculated Property
Cp,gas 250.19 J/mol×K 353.78 Calculated Property
Cp,gas 286.94 J/mol×K 434.56 Calculated Property
Cp,gas 319.30 J/mol×K 515.33 Calculated Property
Cp,gas 347.53 J/mol×K 596.11 Calculated Property
Cp,gas 371.88 J/mol×K 676.89 Calculated Property
Cp,gas 392.61 J/mol×K 757.67 Calculated Property
Cp,gas 409.96 J/mol×K 838.44 Calculated Property
Cp,gas 424.19 J/mol×K 919.22 Calculated Property
Cp,gas 435.56 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0008107; 0.0001608] Pa×s [427.39; 655.09] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.17725e+01
Coefficient B1.98947e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.427.39
Temperature range, max.655.09
η 0.0008107 Pa×s 427.39 Calculated Property
η 0.0006250 Pa×s 452.69 Calculated Property
η 0.0004953 Pa×s 477.99 Calculated Property
η 0.0004018 Pa×s 503.29 Calculated Property
η 0.0003325 Pa×s 528.59 Calculated Property
η 0.0002800 Pa×s 553.89 Calculated Property
η 0.0002393 Pa×s 579.19 Calculated Property
η 0.0002073 Pa×s 604.49 Calculated Property
η 0.0001816 Pa×s 629.79 Calculated Property
η 0.0001608 Pa×s 655.09 Calculated Property

Similar Compounds

3,3',4,4'-tetrachlorodiphenyl ether. 2,4,5-trichlorodiphenyl ether. 2,3,3',4,4'-pentachlorodiphenyl ether. 2,2',3,4,4'-pentachlorodiphenyl ether. 2,3,3',4,4',5-Hexachlorodiphenyl ether. 2,3',4,4',5,5'-Hexachlorodiphenyl ether. Benzene, 2,4-dichloro-1-phenoxy-. 2,3,3',4,4',5,6-Heptachlorodiphenyl ether. 2,2',3,4,4',5'-Hexachlorodiphenyl ether. 2,2',3,3',4,4'-Hexachlorodiphenyl ether. Dibenzo[b,e][1,4]dioxin, 2,3-dichloro-. 2,4'-Dichlorodiphenyl ether. 2,4,4'-trichlorodiphenyl ether. 2,2',3,3',4,4',5-Heptachlorodiphenyl ether. Benzene, 1-chloro-4-phenoxy-.

Find more compounds similar to 3,4,5-trichlorodiphenyl ether.

Sources

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