Chemical Properties of 1,2,4,5-tetrachloro-3-methylbenzene (CAS 1006-31-1)

InChI

InChI=1S/C7H4Cl4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3

InChI Key

ZOXPZFFPPKVNEA-UHFFFAOYSA-N

Formula

C7H4Cl4

SMILES

Cc1c(Cl)c(Cl)cc(Cl)c1Cl

Molecular Weight¹

229.92

CAS

1006-31-1

• 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).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.66; 262.79]	J/mol×K	[555.88; 797.98]
Cp,gas	225.66	J/mol×K	555.88	Joback Calculated Property
Cp,gas	232.95	J/mol×K	596.23	Joback Calculated Property
Cp,gas	239.78	J/mol×K	636.58	Joback Calculated Property
Cp,gas	246.17	J/mol×K	676.93	Joback Calculated Property
Cp,gas	252.12	J/mol×K	717.28	Joback Calculated Property
Cp,gas	257.66	J/mol×K	757.63	Joback Calculated Property
Cp,gas	262.79	J/mol×K	797.98	Joback Calculated Property
η	[0.0002711; 0.0010964]	Pa×s	[364.83; 555.88]
η	0.0010964	Pa×s	364.83	Joback Calculated Property
η	0.0007911	Pa×s	396.67	Joback Calculated Property
η	0.0005992	Pa×s	428.51	Joback Calculated Property
η	0.0004716	Pa×s	460.36	Joback Calculated Property
η	0.0003829	Pa×s	492.20	Joback Calculated Property
η	0.0003188	Pa×s	524.04	Joback Calculated Property
η	0.0002711	Pa×s	555.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[393.96; 560.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45082e+01
Coefficient B			-4.32441e+03
Coefficient C			-8.98660e+01
Temperature range, min.			393.96
Temperature range, max.			560.08
Pvap	1.33	kPa	393.96	Calculated Property
Pvap	3.01	kPa	412.42	Calculated Property
Pvap	6.22	kPa	430.88	Calculated Property
Pvap	11.92	kPa	449.33	Calculated Property
Pvap	21.45	kPa	467.79	Calculated Property
Pvap	36.55	kPa	486.25	Calculated Property
Pvap	59.38	kPa	504.71	Calculated Property
Pvap	92.57	kPa	523.16	Calculated Property
Pvap	139.18	kPa	541.62	Calculated Property
Pvap	202.66	kPa	560.08	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,5-tetrachloro-3-methylbenzene.

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
• The Yaws Handbook of Vapor Pressure

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