Chemical Properties of Phenol, 2,4-dichloro-6-methyl-

InChI

InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3

InChI Key

WJQZZLQMLJPKQH-UHFFFAOYSA-N

Formula

C7H6Cl2O

SMILES

Cc1cc(Cl)cc(Cl)c1O

Molecular Weight¹

177.03

Other Names

• o-Cresol, 4,6-dichloro-
• 2,4-Dichloro-6-methylphenol
• 4,6-Dichloro-o-cresol
• 4,6-Dichloro-2-methylphenol

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.52; 294.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.08000e+00
Coefficient B			6.39120e-01
Coefficient C			-5.51280e-04
Coefficient D			1.98900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.52	J/mol×K	273.00	Calculated Property
Cp,gas	174.00	J/mol×K	353.78	Calculated Property
Cp,gas	198.03	J/mol×K	434.56	Calculated Property
Cp,gas	218.26	J/mol×K	515.33	Calculated Property
Cp,gas	235.30	J/mol×K	596.11	Calculated Property
Cp,gas	249.79	J/mol×K	676.89	Calculated Property
Cp,gas	262.36	J/mol×K	757.67	Calculated Property
Cp,gas	273.64	J/mol×K	838.44	Calculated Property
Cp,gas	284.25	J/mol×K	919.22	Calculated Property
Cp,gas	294.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010560; 0.0000618]	Pa×s	[391.67; 556.29]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.64427e+01
Coefficient B			3.75588e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			391.67
Temperature range, max.			556.29
η	0.0010560	Pa×s	391.67	Calculated Property
η	0.0006884	Pa×s	409.96	Calculated Property
η	0.0004655	Pa×s	428.25	Calculated Property
η	0.0003250	Pa×s	446.54	Calculated Property
η	0.0002334	Pa×s	464.84	Calculated Property
η	0.0001719	Pa×s	483.13	Calculated Property
η	0.0001295	Pa×s	501.42	Calculated Property
η	0.0000995	Pa×s	519.71	Calculated Property
η	0.0000778	Pa×s	538.00	Calculated Property
η	0.0000618	Pa×s	556.29	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,4-dichloro-6-methyl-.

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
• NIST Webbook

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