Chemical Properties of 1,2,3-trichloro-4-(dichloromethyl)benzene (CAS 56961-82-1)

InChI

InChI=1S/C7H3Cl5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,7H

InChI Key

GTQJFLXWDUNQKB-UHFFFAOYSA-N

Formula

C7H3Cl5

SMILES

Clc1ccc(C(Cl)Cl)c(Cl)c1Cl

Molecular Weight¹

264.37

CAS

56961-82-1

• 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	[171.08; 294.71]	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			6.82900e+01
Coefficient B			4.51300e-01
Coefficient C			-2.92280e-04
Coefficient D			6.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.08	J/mol×K	273.00	Calculated Property
Cp,gas	194.35	J/mol×K	353.78	Calculated Property
Cp,gas	214.74	J/mol×K	434.56	Calculated Property
Cp,gas	232.46	J/mol×K	515.33	Calculated Property
Cp,gas	247.73	J/mol×K	596.11	Calculated Property
Cp,gas	260.76	J/mol×K	676.89	Calculated Property
Cp,gas	271.75	J/mol×K	757.67	Calculated Property
Cp,gas	280.94	J/mol×K	838.44	Calculated Property
Cp,gas	288.52	J/mol×K	919.22	Calculated Property
Cp,gas	294.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014801; 0.0002501]	Pa×s	[367.23; 587.08]	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			-1.12637e+01
Coefficient B			1.74362e+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.			367.23
Temperature range, max.			587.08
η	0.0014801	Pa×s	367.23	Calculated Property
η	0.0011007	Pa×s	391.66	Calculated Property
η	0.0008476	Pa×s	416.09	Calculated Property
η	0.0006718	Pa×s	440.51	Calculated Property
η	0.0005457	Pa×s	464.94	Calculated Property
η	0.0004525	Pa×s	489.37	Calculated Property
η	0.0003820	Pa×s	513.80	Calculated Property
η	0.0003275	Pa×s	538.22	Calculated Property
η	0.0002845	Pa×s	562.65	Calculated Property
η	0.0002501	Pa×s	587.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[418.72; 602.74]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41664e+01
Coefficient B			-4.50160e+03
Coefficient C			-9.43700e+01
Temperature range, min.			418.72
Temperature range, max.			602.74
Pvap	1.33	kPa	418.72	Calculated Property
Pvap	3.04	kPa	439.17	Calculated Property
Pvap	6.31	kPa	459.61	Calculated Property
Pvap	12.12	kPa	480.06	Calculated Property
Pvap	21.81	kPa	500.51	Calculated Property
Pvap	37.10	kPa	520.95	Calculated Property
Pvap	60.12	kPa	541.40	Calculated Property
Pvap	93.40	kPa	561.85	Calculated Property
Pvap	139.82	kPa	582.29	Calculated Property
Pvap	202.64	kPa	602.74	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-trichloro-4-(dichloromethyl)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
• The Yaws Handbook of Vapor Pressure

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