Chemical Properties of 3,4,5-Trichloro-2,6-dimethoxyphenol

InChI

InChI=1S/C8H7Cl3O3/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h12H,1-2H3

InChI Key

ZZCSBXFJFLSDRR-UHFFFAOYSA-N

Formula

C8H7Cl3O3

SMILES

COc1c(O)c(OC)c(Cl)c(Cl)c1Cl

Molecular Weight¹

257.50

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[216.05; 385.60]	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			9.96600e+01
Coefficient B			4.95540e-01
Coefficient C			-2.70000e-04
Coefficient D			6.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.05	J/mol×K	273.00	Calculated Property
Cp,gas	243.85	J/mol×K	353.78	Calculated Property
Cp,gas	268.97	J/mol×K	434.56	Calculated Property
Cp,gas	291.59	J/mol×K	515.33	Calculated Property
Cp,gas	311.91	J/mol×K	596.11	Calculated Property
Cp,gas	330.11	J/mol×K	676.89	Calculated Property
Cp,gas	346.39	J/mol×K	757.67	Calculated Property
Cp,gas	360.94	J/mol×K	838.44	Calculated Property
Cp,gas	373.94	J/mol×K	919.22	Calculated Property
Cp,gas	385.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001422; 0.0000260]	Pa×s	[502.36; 632.01]	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			-1.71450e+01
Coefficient B			4.16302e+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.			502.36
Temperature range, max.			632.01
η	0.0001422	Pa×s	502.36	Calculated Property
η	0.0001129	Pa×s	516.77	Calculated Property
η	0.0000907	Pa×s	531.17	Calculated Property
η	0.0000738	Pa×s	545.58	Calculated Property
η	0.0000606	Pa×s	559.98	Calculated Property
η	0.0000503	Pa×s	574.39	Calculated Property
η	0.0000421	Pa×s	588.79	Calculated Property
η	0.0000356	Pa×s	603.20	Calculated Property
η	0.0000303	Pa×s	617.61	Calculated Property
η	0.0000260	Pa×s	632.01	Calculated Property

Similar Compounds

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

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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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