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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.28; 280.93]	J/mol×K	[587.89; 838.40]
Cp,gas	246.28	J/mol×K	587.89	Joback Calculated Property
Cp,gas	253.40	J/mol×K	629.64	Joback Calculated Property
Cp,gas	259.94	J/mol×K	671.39	Joback Calculated Property
Cp,gas	265.93	J/mol×K	713.14	Joback Calculated Property
Cp,gas	271.41	J/mol×K	754.90	Joback Calculated Property
Cp,gas	276.40	J/mol×K	796.65	Joback Calculated Property
Cp,gas	280.93	J/mol×K	838.40	Joback Calculated Property
η	[0.0002491; 0.0014801]	Pa×s	[367.23; 587.89]
η	0.0014801	Pa×s	367.23	Joback Calculated Property
η	0.0009607	Pa×s	404.01	Joback Calculated Property
η	0.0006702	Pa×s	440.78	Joback Calculated Property
η	0.0004942	Pa×s	477.56	Joback Calculated Property
η	0.0003807	Pa×s	514.34	Joback Calculated Property
η	0.0003036	Pa×s	551.11	Joback Calculated Property
η	0.0002491	Pa×s	587.89	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[418.72; 602.74]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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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