Chemical Properties of 1,2,5-trichloro-3-methylbenzene (CAS 56961-86-5)

InChI

InChI=1S/C7H5Cl3/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3

InChI Key

OKLGPXYADUOPGA-UHFFFAOYSA-N

Formula

C7H5Cl3

SMILES

Cc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

195.48

CAS

56961-86-5

• 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	[207.21; 249.42]	J/mol×K	[513.47; 749.79]
Cp,gas	207.21	J/mol×K	513.47	Joback Calculated Property
Cp,gas	215.47	J/mol×K	552.86	Joback Calculated Property
Cp,gas	223.21	J/mol×K	592.24	Joback Calculated Property
Cp,gas	230.46	J/mol×K	631.63	Joback Calculated Property
Cp,gas	237.23	J/mol×K	671.02	Joback Calculated Property
Cp,gas	243.55	J/mol×K	710.40	Joback Calculated Property
Cp,gas	249.42	J/mol×K	749.79	Joback Calculated Property
η	[0.0002778; 0.0013398]	Pa×s	[322.39; 513.47]
η	0.0013398	Pa×s	322.39	Joback Calculated Property
η	0.0009161	Pa×s	354.24	Joback Calculated Property
η	0.0006669	Pa×s	386.08	Joback Calculated Property
η	0.0005096	Pa×s	417.93	Joback Calculated Property
η	0.0004045	Pa×s	449.78	Joback Calculated Property
η	0.0003311	Pa×s	481.62	Joback Calculated Property
η	0.0002778	Pa×s	513.47	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[367.52; 538.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37396e+01
Coefficient B			-3.85391e+03
Coefficient C			-8.10260e+01
Temperature range, min.			367.52
Temperature range, max.			538.30
Pvap	1.33	kPa	367.52	Calculated Property
Pvap	3.07	kPa	386.50	Calculated Property
Pvap	6.43	kPa	405.47	Calculated Property
Pvap	12.40	kPa	424.45	Calculated Property
Pvap	22.31	kPa	443.42	Calculated Property
Pvap	37.87	kPa	462.40	Calculated Property
Pvap	61.14	kPa	481.37	Calculated Property
Pvap	94.52	kPa	500.35	Calculated Property
Pvap	140.71	kPa	519.32	Calculated Property
Pvap	202.66	kPa	538.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,5-trichloro-3-methylbenzene.

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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