Chemical Properties of 2,4,6-Trichloro ethyl benzene (CAS 116373-11-6)

InChI

InChI=1S/C8H7Cl3/c1-2-6-7(10)3-5(9)4-8(6)11/h3-4H,2H2,1H3

InChI Key

MZAUYYMXXORTJT-UHFFFAOYSA-N

Formula

C8H7Cl3

SMILES

CCc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

209.50

CAS

116373-11-6

• 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).
• 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	[165.80; 329.22]	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			4.32810e+01
Coefficient B			5.26820e-01
Coefficient C			-3.02680e-04
Coefficient D			6.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.80	J/mol×K	273.00	Calculated Property
Cp,gas	194.51	J/mol×K	353.78	Calculated Property
Cp,gas	220.13	J/mol×K	434.56	Calculated Property
Cp,gas	242.84	J/mol×K	515.33	Calculated Property
Cp,gas	262.86	J/mol×K	596.11	Calculated Property
Cp,gas	280.36	J/mol×K	676.89	Calculated Property
Cp,gas	295.56	J/mol×K	757.67	Calculated Property
Cp,gas	308.64	J/mol×K	838.44	Calculated Property
Cp,gas	319.79	J/mol×K	919.22	Calculated Property
Cp,gas	329.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013528; 0.0002576]	Pa×s	[333.66; 537.94]	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			-1.09733e+01
Coefficient B			1.45732e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			333.66
Temperature range, max.			537.94
η	0.0013528	Pa×s	333.66	Calculated Property
η	0.0010243	Pa×s	356.36	Calculated Property
η	0.0008018	Pa×s	379.05	Calculated Property
η	0.0006453	Pa×s	401.75	Calculated Property
η	0.0005315	Pa×s	424.45	Calculated Property
η	0.0004465	Pa×s	447.15	Calculated Property
η	0.0003814	Pa×s	469.84	Calculated Property
η	0.0003306	Pa×s	492.54	Calculated Property
η	0.0002902	Pa×s	515.24	Calculated Property
η	0.0002576	Pa×s	537.94	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trichloro ethyl benzene.

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

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