Chemical Properties of 4-Bromo-2,3,5,6-tetrachloroanisole

InChI

InChI=1S/C7H3BrCl4O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChI Key

YSVAURKXNCNUNS-UHFFFAOYSA-N

Formula

C7H3BrCl4O

SMILES

COc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl

Molecular Weight¹

324.82

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[192.48; 307.39]	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			1.19370e+02
Coefficient B			2.94620e-01
Coefficient C			-9.50000e-05
Coefficient D			-1.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.48	J/mol×K	273.00	Calculated Property
Cp,gas	211.20	J/mol×K	353.78	Calculated Property
Cp,gas	228.51	J/mol×K	434.56	Calculated Property
Cp,gas	244.38	J/mol×K	515.33	Calculated Property
Cp,gas	258.78	J/mol×K	596.11	Calculated Property
Cp,gas	271.67	J/mol×K	676.89	Calculated Property
Cp,gas	283.01	J/mol×K	757.67	Calculated Property
Cp,gas	292.77	J/mol×K	838.44	Calculated Property
Cp,gas	300.91	J/mol×K	919.22	Calculated Property
Cp,gas	307.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006472; 0.0002176]	Pa×s	[459.38; 631.25]	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			-1.13457e+01
Coefficient B			1.83883e+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.			459.38
Temperature range, max.			631.25
η	0.0006472	Pa×s	459.38	Calculated Property
η	0.0005516	Pa×s	478.48	Calculated Property
η	0.0004760	Pa×s	497.57	Calculated Property
η	0.0004152	Pa×s	516.67	Calculated Property
η	0.0003657	Pa×s	535.77	Calculated Property
η	0.0003250	Pa×s	554.86	Calculated Property
η	0.0002911	Pa×s	573.96	Calculated Property
η	0.0002625	Pa×s	593.05	Calculated Property
η	0.0002383	Pa×s	612.15	Calculated Property
η	0.0002176	Pa×s	631.25	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromo-2,3,5,6-tetrachloroanisole.

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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