Chemical Properties of 2-Chloro-4,5-dimethylphenol (CAS 1124-04-5)

InChI

InChI=1S/C8H9ClO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3

InChI Key

PSOJLBXHRBFLLQ-UHFFFAOYSA-N

Formula

C8H9ClO

SMILES

Cc1cc(O)c(Cl)cc1C

Molecular Weight¹

156.61

CAS

1124-04-5

Other Names

• Phenol, 2-chloro-4,5-dimethyl-
• Banol phenol
• 2-Chloro-4,5-xylenol
• 3,4-Dimethyl-6-chlorophenol
• 3,4-Xylenol, 6-chloro-
• 6-Chloro-3,4-xylenol

• 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	[153.33; 338.14]	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			-5.72000e+00
Coefficient B			7.27340e-01
Coefficient C			-5.85280e-04
Coefficient D			2.01800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.33	J/mol×K	273.00	Calculated Property
Cp,gas	187.28	J/mol×K	353.78	Calculated Property
Cp,gas	216.39	J/mol×K	434.56	Calculated Property
Cp,gas	241.29	J/mol×K	515.33	Calculated Property
Cp,gas	262.62	J/mol×K	596.11	Calculated Property
Cp,gas	281.03	J/mol×K	676.89	Calculated Property
Cp,gas	297.15	J/mol×K	757.67	Calculated Property
Cp,gas	311.61	J/mol×K	838.44	Calculated Property
Cp,gas	325.06	J/mol×K	919.22	Calculated Property
Cp,gas	338.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013492; 0.0000642]	Pa×s	[373.02; 539.68]	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			-1.64702e+01
Coefficient B			3.67872e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			373.02
Temperature range, max.			539.68
η	0.0013492	Pa×s	373.02	Calculated Property
η	0.0008463	Pa×s	391.54	Calculated Property
η	0.0005537	Pa×s	410.06	Calculated Property
η	0.0003757	Pa×s	428.57	Calculated Property
η	0.0002633	Pa×s	447.09	Calculated Property
η	0.0001898	Pa×s	465.61	Calculated Property
η	0.0001403	Pa×s	484.13	Calculated Property
η	0.0001061	Pa×s	502.64	Calculated Property
η	0.0000818	Pa×s	521.16	Calculated Property
η	0.0000642	Pa×s	539.68	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-4,5-dimethylphenol.

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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