Chemical Properties of 2,3,4,5,6-PENTACHLOROTOLUENE (CAS 877-11-2)

InChI

InChI=1S/C7H3Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

InChI Key

AVSIMRGRHWKCAY-UHFFFAOYSA-N

Formula

C7H3Cl5

SMILES

Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

264.37

CAS

877-11-2

Other Names

• Methylpentachlorobenzene
• Toluene, 2,3,4,5,6-pentachloro-

• ω : Acentric Factor.
• 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_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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.26; 274.67]	J/mol×K	[598.29; 845.23]
Cp,gas	242.26	J/mol×K	598.29	Joback Calculated Property
Cp,gas	248.65	J/mol×K	639.45	Joback Calculated Property
Cp,gas	254.64	J/mol×K	680.60	Joback Calculated Property
Cp,gas	260.23	J/mol×K	721.76	Joback Calculated Property
Cp,gas	265.42	J/mol×K	762.92	Joback Calculated Property
Cp,gas	270.23	J/mol×K	804.08	Joback Calculated Property
Cp,gas	274.67	J/mol×K	845.23	Joback Calculated Property
η	[0.0002582; 0.0009073]	Pa×s	[407.27; 598.29]
η	0.0009073	Pa×s	407.27	Joback Calculated Property
η	0.0006820	Pa×s	439.11	Joback Calculated Property
η	0.0005329	Pa×s	470.94	Joback Calculated Property
η	0.0004295	Pa×s	502.78	Joback Calculated Property
η	0.0003552	Pa×s	534.62	Joback Calculated Property
η	0.0003001	Pa×s	566.45	Joback Calculated Property
η	0.0002582	Pa×s	598.29	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[441.99; 594.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65505e+01
Coefficient B			-5.54934e+03
Coefficient C			-1.00764e+02
Temperature range, min.			441.99
Temperature range, max.			594.52
Pvap	1.33	kPa	441.99	Calculated Property
Pvap	2.88	kPa	458.94	Calculated Property
Pvap	5.80	kPa	475.89	Calculated Property
Pvap	10.99	kPa	492.83	Calculated Property
Pvap	19.75	kPa	509.78	Calculated Property
Pvap	33.88	kPa	526.73	Calculated Property
Pvap	55.78	kPa	543.68	Calculated Property
Pvap	88.51	kPa	560.62	Calculated Property
Pvap	135.91	kPa	577.57	Calculated Property
Pvap	202.65	kPa	594.52	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5,6-PENTACHLOROTOLUENE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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