Chemical Properties of Benzene, 1,2,4-trichloro-3-methyl- (CAS 2077-46-5)

InChI

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

InChI Key

UZYYBZNZSSNYSA-UHFFFAOYSA-N

Formula

C7H5Cl3

SMILES

Cc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

195.47

CAS

2077-46-5

Other Names

• 2,3,6-Trichlorotoluene
• Benzene, 1-methyl-2,3,6-trichloro-
• Toluene, 2,3,6-trichloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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
ΔvapH	62.20	kJ/mol	446.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[351.92; 544.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.25104e+01
Coefficient B			-3.37735e+03
Coefficient C			-7.56050e+01
Temperature range, min.			351.92
Temperature range, max.			544.75
Pvap	1.33	kPa	351.92	Calculated Property
Pvap	3.21	kPa	373.35	Calculated Property
Pvap	6.88	kPa	394.77	Calculated Property
Pvap	13.39	kPa	416.20	Calculated Property
Pvap	24.07	kPa	437.62	Calculated Property
Pvap	40.55	kPa	459.05	Calculated Property
Pvap	64.62	kPa	480.47	Calculated Property
Pvap	98.28	kPa	501.90	Calculated Property
Pvap	143.59	kPa	523.32	Calculated Property
Pvap	202.64	kPa	544.75	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,4-trichloro-3-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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