Chemical Properties of Alpha,alpha,alpha,alpha',alpha',alpha'-2,5-octachloro-p-xylene (CAS 2142-29-2)

InChI

InChI=1S/C8H2Cl8/c9-5-1-3(7(11,12)13)6(10)2-4(5)8(14,15)16/h1-2H

InChI Key

RMXLFMXXVKFMFK-UHFFFAOYSA-N

Formula

C8H2Cl8

SMILES

Clc1cc(C(Cl)(Cl)Cl)c(Cl)cc1C(Cl)(Cl)Cl

Molecular Weight¹

381.73

CAS

2142-29-2

Other Names

• Benzene, 1,4-dichloro-2,5-bis(trichloromethyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[229.91; 373.51]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.87900e+01
Coefficient B			8.12400e-01
Coefficient C			-7.48280e-04
Coefficient D			2.50600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.91	J/mol×K	273.00	Calculated Property
Cp,gas	263.64	J/mol×K	353.78	Calculated Property
Cp,gas	291.08	J/mol×K	434.56	Calculated Property
Cp,gas	313.02	J/mol×K	515.33	Calculated Property
Cp,gas	330.25	J/mol×K	596.11	Calculated Property
Cp,gas	343.57	J/mol×K	676.89	Calculated Property
Cp,gas	353.76	J/mol×K	757.67	Calculated Property
Cp,gas	361.62	J/mol×K	838.44	Calculated Property
Cp,gas	367.94	J/mol×K	919.22	Calculated Property
Cp,gas	373.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007579; 0.0001358]	Pa×s	[488.10; 697.54]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.29113e+01
Coefficient B			2.79500e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			488.10
Temperature range, max.			697.54
η	0.0007579	Pa×s	488.10	Calculated Property
η	0.0005840	Pa×s	511.37	Calculated Property
η	0.0004604	Pa×s	534.64	Calculated Property
η	0.0003702	Pa×s	557.91	Calculated Property
η	0.0003029	Pa×s	581.18	Calculated Property
η	0.0002517	Pa×s	604.45	Calculated Property
η	0.0002120	Pa×s	627.72	Calculated Property
η	0.0001808	Pa×s	650.99	Calculated Property
η	0.0001559	Pa×s	674.26	Calculated Property
η	0.0001358	Pa×s	697.54	Calculated Property

Similar Compounds

Find more compounds similar to Alpha,alpha,alpha,alpha',alpha',alpha'-2,5-octachloro-p-xylene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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