Chemical Properties of 2,3,4-trichloro-6-methoxyphenol

InChI

InChI=1S/C7H5Cl3O2/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2,11H,1H3

InChI Key

NIAJPNQTKGWEOI-UHFFFAOYSA-N

Formula

C7H5Cl3O2

SMILES

COc1cc(Cl)c(Cl)c(Cl)c1O

Molecular Weight¹

227.47

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[176.88; 318.55]	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			6.07700e+01
Coefficient B			5.23220e-01
Coefficient C			-3.93640e-04
Coefficient D			1.28200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.88	J/mol×K	273.00	Calculated Property
Cp,gas	202.28	J/mol×K	353.78	Calculated Property
Cp,gas	224.32	J/mol×K	434.56	Calculated Property
Cp,gas	243.41	J/mol×K	515.33	Calculated Property
Cp,gas	259.94	J/mol×K	596.11	Calculated Property
Cp,gas	274.33	J/mol×K	676.89	Calculated Property
Cp,gas	286.98	J/mol×K	757.67	Calculated Property
Cp,gas	298.30	J/mol×K	838.44	Calculated Property
Cp,gas	308.69	J/mol×K	919.22	Calculated Property
Cp,gas	318.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003298; 0.0000394]	Pa×s	[456.34; 602.34]	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			-1.67780e+01
Coefficient B			3.99803e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			456.34
Temperature range, max.			602.34
η	0.0003298	Pa×s	456.34	Calculated Property
η	0.0002442	Pa×s	472.56	Calculated Property
η	0.0001844	Pa×s	488.78	Calculated Property
η	0.0001418	Pa×s	505.01	Calculated Property
η	0.0001108	Pa×s	521.23	Calculated Property
η	0.0000879	Pa×s	537.45	Calculated Property
η	0.0000707	Pa×s	553.67	Calculated Property
η	0.0000576	Pa×s	569.90	Calculated Property
η	0.0000474	Pa×s	586.12	Calculated Property
η	0.0000394	Pa×s	602.34	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-trichloro-6-methoxyphenol.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.