Chemical Properties of 1,2,3-Trichloro-4,5,6-trimethylbenzene (CAS 19219-81-9)

InChI

InChI=1S/C9H9Cl3/c1-4-5(2)7(10)9(12)8(11)6(4)3/h1-3H3

InChI Key

QCTIBRJBUAXXEB-UHFFFAOYSA-N

Formula

C9H9Cl3

SMILES

Cc1c(C)c(Cl)c(Cl)c(Cl)c1C

Molecular Weight¹

223.53

CAS

19219-81-9

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_c : Critical Pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.12; 374.73]	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			7.09700e+01
Coefficient B			5.02860e-01
Coefficient C			-2.23000e-04
Coefficient D			2.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.12	J/mol×K	273.00	Calculated Property
Cp,gas	222.02	J/mol×K	353.78	Calculated Property
Cp,gas	249.34	J/mol×K	434.56	Calculated Property
Cp,gas	274.16	J/mol×K	515.33	Calculated Property
Cp,gas	296.55	J/mol×K	596.11	Calculated Property
Cp,gas	316.59	J/mol×K	676.89	Calculated Property
Cp,gas	334.35	J/mol×K	757.67	Calculated Property
Cp,gas	349.91	J/mol×K	838.44	Calculated Property
Cp,gas	363.35	J/mol×K	919.22	Calculated Property
Cp,gas	374.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003322; 0.0002414]	Pa×s	[498.00; 559.37]	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			-1.09195e+01
Coefficient B			1.44896e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			498.00
Temperature range, max.			559.37
η	0.0003322	Pa×s	498.00	Calculated Property
η	0.0003194	Pa×s	504.82	Calculated Property
η	0.0003074	Pa×s	511.64	Calculated Property
η	0.0002961	Pa×s	518.46	Calculated Property
η	0.0002856	Pa×s	525.27	Calculated Property
η	0.0002757	Pa×s	532.09	Calculated Property
η	0.0002663	Pa×s	538.91	Calculated Property
η	0.0002575	Pa×s	545.73	Calculated Property
η	0.0002492	Pa×s	552.55	Calculated Property
η	0.0002414	Pa×s	559.37	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Trichloro-4,5,6-trimethylbenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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