Chemical Properties of Dibenzo-p-dioxin, 1,4,8-trichloro

Dibenzo-p-dioxin, 1,4,8-trichloro

InChI
InChI=1S/C12H5Cl3O2/c13-6-1-4-9-10(5-6)17-12-8(15)3-2-7(14)11(12)16-9/h1-5H
InChI Key
NBWAQBGJBSYXHV-UHFFFAOYSA-N
Formula
C12H5Cl3O2
SMILES
Clc1ccc2c(c1)Oc1c(Cl)ccc(Cl)c1O2
Molecular Weight1
287.53
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Physical Properties

Property Value Unit Source
ΔfH°gas -104.41 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.69 kJ/mol Joback Calculated Property
ΔvapH° 95.67 kJ/mol Relay (1.0) Calculated Property
IE 7.89 eV Relay (1.0) Calculated Property
log10WS -8.01 Relay (1.0) Calculated Property
logPoct/wat 5.545 Crippen Calculated Property
McVol 170.020 ml/mol McGowan Calculated Property
Inp [2148.00; 2148.00]   Show Hide
Inp 2148.00 NIST
Inp 2148.00 NIST
Inp 2148.00 NIST
Inp 2148.00 NIST
Tboil 604.64 K Relay (1.0) Calculated Property
Tfus 412.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [212.41; 421.32] 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 A1.79200e+01
Coefficient B8.89900e-01
Coefficient C-7.11600e-04
Coefficient D2.25100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 212.41 J/mol×K 273.00 Calculated Property
Cp,gas 253.65 J/mol×K 353.78 Calculated Property
Cp,gas 288.73 J/mol×K 434.56 Calculated Property
Cp,gas 318.34 J/mol×K 515.33 Calculated Property
Cp,gas 343.22 J/mol×K 596.11 Calculated Property
Cp,gas 364.06 J/mol×K 676.89 Calculated Property
Cp,gas 381.57 J/mol×K 757.67 Calculated Property
Cp,gas 396.48 J/mol×K 838.44 Calculated Property
Cp,gas 409.49 J/mol×K 919.22 Calculated Property
Cp,gas 421.32 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0013574; 0.0005476] Pa×s [509.04; 693.52] 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-1.00147e+01
Coefficient B1.73708e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.509.04
Temperature range, max.693.52
η 0.0013574 Pa×s 509.04 Calculated Property
η 0.0011894 Pa×s 529.54 Calculated Property
η 0.0010525 Pa×s 550.04 Calculated Property
η 0.0009396 Pa×s 570.53 Calculated Property
η 0.0008455 Pa×s 591.03 Calculated Property
η 0.0007662 Pa×s 611.53 Calculated Property
η 0.0006987 Pa×s 632.03 Calculated Property
η 0.0006409 Pa×s 652.52 Calculated Property
η 0.0005910 Pa×s 673.02 Calculated Property
η 0.0005476 Pa×s 693.52 Calculated Property

Similar Compounds

Dibenzo-p-dioxin, 1,7-dichloro. Dibenzo-p-dioxin, 1,8-dichloro. Dibenzo-p-dioxin, 1,4-dichloro. 1,4,7,8-tetrachloro dibenzo-p-dioxin. Dibenzo-p-dioxin, 1,2,4,7-tetrachloro. Dibenzo-p-dioxin, 1,2,4,8-tetrachloro. Dibenzo[b,e][1,4]dioxin, 1,3,7-trichloro-. Dibenzo-p-dioxin, 1,3,8-trichloro. Dibenzo-p-dioxin, 1,7,8-trichloro. 1,2,3,4,7-pentachlorodibenzo-p-dioxin. Dibenzo-p-dioxin, 1,2,3,4,7-pentachloro-. Dibenzo-p-dioxin, 1,4,9-trichloro. 1,3,6,9-tetrachloro dibenzo-p-dioxin. Dibenzo-p-dioxin, 1,2,8-trichloro. Dibenzo-p-dioxin, 1,2,7-trichloro.

Find more compounds similar to Dibenzo-p-dioxin, 1,4,8-trichloro.

Sources

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