Chemical Properties of 1,2,4-Trichloro-5-(2-chloroethoxy)benzene (CAS 101654-23-3)

InChI

InChI=1S/C8H6Cl4O/c9-1-2-13-8-4-6(11)5(10)3-7(8)12/h3-4H,1-2H2

InChI Key

QRAXLUVIRXAFDT-UHFFFAOYSA-N

Formula

C8H6Cl4O

SMILES

ClCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

259.94

CAS

101654-23-3

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[194.61; 355.99]	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			8.16720e+01
Coefficient B			4.70400e-01
Coefficient C			-2.12080e-04
Coefficient D			1.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.61	J/mol×K	273.00	Calculated Property
Cp,gas	222.25	J/mol×K	353.78	Calculated Property
Cp,gas	247.35	J/mol×K	434.56	Calculated Property
Cp,gas	269.95	J/mol×K	515.33	Calculated Property
Cp,gas	290.11	J/mol×K	596.11	Calculated Property
Cp,gas	307.87	J/mol×K	676.89	Calculated Property
Cp,gas	323.29	J/mol×K	757.67	Calculated Property
Cp,gas	336.42	J/mol×K	838.44	Calculated Property
Cp,gas	347.30	J/mol×K	919.22	Calculated Property
Cp,gas	355.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010081; 0.0002202]	Pa×s	[385.81; 580.42]	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			-1.14375e+01
Coefficient B			1.75073e+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.			385.81
Temperature range, max.			580.42
η	0.0010081	Pa×s	385.81	Calculated Property
η	0.0007923	Pa×s	407.43	Calculated Property
η	0.0006380	Pa×s	429.06	Calculated Property
η	0.0005246	Pa×s	450.68	Calculated Property
η	0.0004391	Pa×s	472.30	Calculated Property
η	0.0003733	Pa×s	493.93	Calculated Property
η	0.0003218	Pa×s	515.55	Calculated Property
η	0.0002807	Pa×s	537.17	Calculated Property
η	0.0002474	Pa×s	558.79	Calculated Property
η	0.0002202	Pa×s	580.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trichloro-5-(2-chloroethoxy)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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