Chemical Properties of Benzene, 1,4-bis(trichloromethyl)- (CAS 68-36-0)

InChI

InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H

InChI Key

OTEKOJQFKOIXMU-UHFFFAOYSA-N

Formula

C8H4Cl6

SMILES

ClC(Cl)(Cl)c1ccc(C(Cl)(Cl)Cl)cc1

Molecular Weight¹

312.83

CAS

68-36-0

Other Names

• 1,4-Bis(trichloromethyl)benzene
• 1,4-Di(trichloromethyl)benzene
• 2,2-Hexachloro-p-xylene
• Bitriben
• Chloksil
• Chloxil
• Chloxyl
• Cloxil
• Hetol
• Hexachloroparaxylol
• Hexachloroxylene
• Hexichol
• Khloksil
• Khloxil
• NSC 41883
• alpha,alpha,alpha,alpha',alpha',alpha'-Hexachloro-p-xylene
• p-Bis(perchloromethyl)benzene
• p-Bis(trichloromethyl)benzene
• p-Xylene hexachloride
• p-Xylene, «alpha»,«alpha»'-hexachloro-
• p-Xylene, «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-hexachloro-
• «alpha»,«alpha»'-Hexachloro-p-xylene
• «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-Hexachloro-p-xylene
• «omega»,«omega»'-Hexachloro-p-xylene
• «omega»-Hexachloro-p-xylene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, Standard Gibbs free energy of formation, Acentric Factor, 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	[197.99; 363.05]	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			4.41000e+00
Coefficient B			9.17800e-01
Coefficient C			-8.41560e-04
Coefficient D			2.82400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.99	J/mol×K	273.00	Calculated Property
Cp,gas	236.28	J/mol×K	353.78	Calculated Property
Cp,gas	267.50	J/mol×K	434.56	Calculated Property
Cp,gas	292.54	J/mol×K	515.33	Calculated Property
Cp,gas	312.29	J/mol×K	596.11	Calculated Property
Cp,gas	327.66	J/mol×K	676.89	Calculated Property
Cp,gas	339.52	J/mol×K	757.67	Calculated Property
Cp,gas	348.78	J/mol×K	838.44	Calculated Property
Cp,gas	356.32	J/mol×K	919.22	Calculated Property
Cp,gas	363.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024181; 0.0001696]	Pa×s	[382.15; 634.24]	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			-1.27103e+01
Coefficient B			2.55488e+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.			382.15
Temperature range, max.			634.24
η	0.0024181	Pa×s	382.15	Calculated Property
η	0.0015318	Pa×s	410.16	Calculated Property
η	0.0010286	Pa×s	438.17	Calculated Property
η	0.0007246	Pa×s	466.18	Calculated Property
η	0.0005311	Pa×s	494.19	Calculated Property
η	0.0004025	Pa×s	522.20	Calculated Property
η	0.0003138	Pa×s	550.21	Calculated Property
η	0.0002506	Pa×s	578.22	Calculated Property
η	0.0002043	Pa×s	606.23	Calculated Property
η	0.0001696	Pa×s	634.24	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-bis(trichloromethyl)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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