Chemical Properties of 1,2,3,5-tetrachloro-4-methylbenzene (CAS 875-40-1)

InChI

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

InChI Key

UURGNCIPRITNBJ-UHFFFAOYSA-N

Formula

C7H4Cl4

SMILES

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

Molecular Weight¹

229.92

CAS

875-40-1

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.54; 282.86]	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			7.13800e+01
Coefficient B			3.79120e-01
Coefficient C			-2.01640e-04
Coefficient D			3.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.54	J/mol×K	273.00	Calculated Property
Cp,gas	181.77	J/mol×K	353.78	Calculated Property
Cp,gas	200.84	J/mol×K	434.56	Calculated Property
Cp,gas	217.86	J/mol×K	515.33	Calculated Property
Cp,gas	232.93	J/mol×K	596.11	Calculated Property
Cp,gas	246.16	J/mol×K	676.89	Calculated Property
Cp,gas	257.66	J/mol×K	757.67	Calculated Property
Cp,gas	267.54	J/mol×K	838.44	Calculated Property
Cp,gas	275.90	J/mol×K	919.22	Calculated Property
Cp,gas	282.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010964; 0.0002674]	Pa×s	[364.83; 558.79]	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			-1.08813e+01
Coefficient B			1.48322e+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.			364.83
Temperature range, max.			558.79
η	0.0010964	Pa×s	364.83	Calculated Property
η	0.0008739	Pa×s	386.38	Calculated Property
η	0.0007135	Pa×s	407.93	Calculated Property
η	0.0005945	Pa×s	429.48	Calculated Property
η	0.0005041	Pa×s	451.03	Calculated Property
η	0.0004339	Pa×s	472.59	Calculated Property
η	0.0003784	Pa×s	494.14	Calculated Property
η	0.0003338	Pa×s	515.69	Calculated Property
η	0.0002974	Pa×s	537.24	Calculated Property
η	0.0002674	Pa×s	558.79	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.16; 202.63]	kPa	[367.15; 556.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56892e+01
Coefficient B			-4.79557e+03
Coefficient C			-9.39530e+01
Temperature range, min.			367.15
Temperature range, max.			556.05
Pvap	0.16	kPa	367.15	Calculated Property
Pvap	0.54	kPa	388.14	Calculated Property
Pvap	1.61	kPa	409.13	Calculated Property
Pvap	4.15	kPa	430.12	Calculated Property
Pvap	9.60	kPa	451.11	Calculated Property
Pvap	20.23	kPa	472.09	Calculated Property
Pvap	39.42	kPa	493.08	Calculated Property
Pvap	71.84	kPa	514.07	Calculated Property
Pvap	123.67	kPa	535.06	Calculated Property
Pvap	202.63	kPa	556.05	Calculated Property

Similar Compounds

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