Chemical Properties of 1,2,4-trichloro-5-(chloromethyl)benzene (CAS 3955-26-8)

InChI

InChI=1S/C7H4Cl4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2

InChI Key

UBJKMVAYDQUJSJ-UHFFFAOYSA-N

Formula

C7H4Cl4

SMILES

ClCc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

229.92

CAS

3955-26-8

• 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	[227.01; 265.16]	J/mol×K	[550.90; 791.86]
Cp,gas	227.01	J/mol×K	550.90	Joback Calculated Property
Cp,gas	234.62	J/mol×K	591.06	Joback Calculated Property
Cp,gas	241.70	J/mol×K	631.22	Joback Calculated Property
Cp,gas	248.27	J/mol×K	671.38	Joback Calculated Property
Cp,gas	254.35	J/mol×K	711.54	Joback Calculated Property
Cp,gas	259.98	J/mol×K	751.70	Joback Calculated Property
Cp,gas	265.16	J/mol×K	791.86	Joback Calculated Property
η	[0.0002775; 0.0013337]	Pa×s	[352.31; 550.90]
η	0.0013337	Pa×s	352.31	Joback Calculated Property
η	0.0009175	Pa×s	385.41	Joback Calculated Property
η	0.0006697	Pa×s	418.51	Joback Calculated Property
η	0.0005119	Pa×s	451.61	Joback Calculated Property
η	0.0004059	Pa×s	484.70	Joback Calculated Property
η	0.0003315	Pa×s	517.80	Joback Calculated Property
η	0.0002775	Pa×s	550.90	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[402.52; 557.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53770e+01
Coefficient B			-4.67077e+03
Coefficient C			-9.29800e+01
Temperature range, min.			402.52
Temperature range, max.			557.02
Pvap	1.33	kPa	402.52	Calculated Property
Pvap	2.95	kPa	419.69	Calculated Property
Pvap	6.01	kPa	436.85	Calculated Property
Pvap	11.47	kPa	454.02	Calculated Property
Pvap	20.64	kPa	471.19	Calculated Property
Pvap	35.28	kPa	488.35	Calculated Property
Pvap	57.68	kPa	505.52	Calculated Property
Pvap	90.68	kPa	522.69	Calculated Property
Pvap	137.67	kPa	539.85	Calculated Property
Pvap	202.66	kPa	557.02	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-trichloro-5-(chloromethyl)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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