Chemical Properties of Benzene, 1,4-bis(dichloromethyl)- (CAS 7398-82-5)

InChI

InChI=1S/C8H6Cl4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H

InChI Key

VOWDXSFJQOEFSH-UHFFFAOYSA-N

Formula

C8H6Cl4

SMILES

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

Molecular Weight¹

243.94

CAS

7398-82-5

Other Names

• 1,4-Bis(dichloromethyl)benzene
• «alpha»,«alpha»,«alpha»',«alpha»'-tetrachloro-p-xylene

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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 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	[173.48; 344.65]	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			2.42100e+01
Coefficient B			6.64400e-01
Coefficient C			-4.63560e-04
Coefficient D			1.19600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.48	J/mol×K	273.00	Calculated Property
Cp,gas	206.54	J/mol×K	353.78	Calculated Property
Cp,gas	235.21	J/mol×K	434.56	Calculated Property
Cp,gas	259.86	J/mol×K	515.33	Calculated Property
Cp,gas	280.88	J/mol×K	596.11	Calculated Property
Cp,gas	298.63	J/mol×K	676.89	Calculated Property
Cp,gas	313.51	J/mol×K	757.67	Calculated Property
Cp,gas	325.89	J/mol×K	838.44	Calculated Property
Cp,gas	336.14	J/mol×K	919.22	Calculated Property
Cp,gas	344.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032959; 0.0002301]	Pa×s	[308.54; 565.66]	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			-1.15710e+01
Coefficient B			1.80680e+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.			308.54
Temperature range, max.			565.66
η	0.0032959	Pa×s	308.54	Calculated Property
η	0.0020065	Pa×s	337.11	Calculated Property
η	0.0013201	Pa×s	365.68	Calculated Property
η	0.0009228	Pa×s	394.25	Calculated Property
η	0.0006770	Pa×s	422.82	Calculated Property
η	0.0005166	Pa×s	451.38	Calculated Property
η	0.0004071	Pa×s	479.95	Calculated Property
η	0.0003295	Pa×s	508.52	Calculated Property
η	0.0002727	Pa×s	537.09	Calculated Property
η	0.0002301	Pa×s	565.66	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[403.24; 581.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40639e+01
Coefficient B			-4.27269e+03
Coefficient C			-9.30910e+01
Temperature range, min.			403.24
Temperature range, max.			581.27
Pvap	1.33	kPa	403.24	Calculated Property
Pvap	3.05	kPa	423.02	Calculated Property
Pvap	6.33	kPa	442.80	Calculated Property
Pvap	12.18	kPa	462.58	Calculated Property
Pvap	21.93	kPa	482.36	Calculated Property
Pvap	37.28	kPa	502.15	Calculated Property
Pvap	60.36	kPa	521.93	Calculated Property
Pvap	93.66	kPa	541.71	Calculated Property
Pvap	140.04	kPa	561.49	Calculated Property
Pvap	202.66	kPa	581.27	Calculated Property

Similar Compounds

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

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
• The Yaws Handbook of Vapor Pressure

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