Chemical Properties of Phenol, 2,5-dichloro-4-methoxy- (CAS 18113-14-9)

InChI

InChI=1S/C7H6Cl2O2/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3,10H,1H3

InChI Key

JXKFAPUUGWQXHX-UHFFFAOYSA-N

Formula

C7H6Cl2O2

SMILES

COc1cc(Cl)c(O)cc1Cl

Molecular Weight¹

193.03

CAS

18113-14-9

Other Names

• 2,5-Dichloro-4-methoxyphenol
• Hydroxy chloroneb

• 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).
• 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, Ionization energy 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	[160.92; 313.32]	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			3.35800e+01
Coefficient B			5.75920e-01
Coefficient C			-4.40280e-04
Coefficient D			1.44100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.92	J/mol×K	273.00	Calculated Property
Cp,gas	188.60	J/mol×K	353.78	Calculated Property
Cp,gas	212.53	J/mol×K	434.56	Calculated Property
Cp,gas	233.17	J/mol×K	515.33	Calculated Property
Cp,gas	250.96	J/mol×K	596.11	Calculated Property
Cp,gas	266.38	J/mol×K	676.89	Calculated Property
Cp,gas	279.86	J/mol×K	757.67	Calculated Property
Cp,gas	291.88	J/mol×K	838.44	Calculated Property
Cp,gas	302.88	J/mol×K	919.22	Calculated Property
Cp,gas	313.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024066; 0.0000486]	Pa×s	[362.00; 569.49]	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			-1.67422e+01
Coefficient B			3.87797e+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.			362.00
Temperature range, max.			569.49
η	0.0024066	Pa×s	362.00	Calculated Property
η	0.0012672	Pa×s	385.05	Calculated Property
η	0.0007174	Pa×s	408.11	Calculated Property
η	0.0004316	Pa×s	431.16	Calculated Property
η	0.0002734	Pa×s	454.22	Calculated Property
η	0.0001810	Pa×s	477.27	Calculated Property
η	0.0001245	Pa×s	500.32	Calculated Property
η	0.0000885	Pa×s	523.38	Calculated Property
η	0.0000647	Pa×s	546.43	Calculated Property
η	0.0000486	Pa×s	569.49	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,5-dichloro-4-methoxy-.

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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