Chemical Properties of 2-Bromo-4,6-dichloroanisole

InChI

InChI=1S/C7H5BrCl2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3

InChI Key

OEYKUHBCPJRXGZ-UHFFFAOYSA-N

Formula

C7H5BrCl2O

SMILES

COc1c(Cl)cc(Cl)cc1Br

Molecular Weight¹

255.92

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.63	kJ/mol	Joback Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	3.764		Crippen Calculated Property
McVol	133.580	ml/mol	McGowan Calculated Property
Inp	[1420.00; 1420.00]
Inp	1420.00		NIST
Inp	1420.00		NIST
Tfus	317.07	K	Relay (1.0) Calculated Property

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	[160.57; 296.93]	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			6.49900e+01
Coefficient B			4.00020e-01
Coefficient C			-1.88280e-04
Coefficient D			2.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.57	J/mol×K	273.00	Calculated Property
Cp,gas	183.84	J/mol×K	353.78	Calculated Property
Cp,gas	204.92	J/mol×K	434.56	Calculated Property
Cp,gas	223.90	J/mol×K	515.33	Calculated Property
Cp,gas	240.82	J/mol×K	596.11	Calculated Property
Cp,gas	255.76	J/mol×K	676.89	Calculated Property
Cp,gas	268.77	J/mol×K	757.67	Calculated Property
Cp,gas	279.93	J/mol×K	838.44	Calculated Property
Cp,gas	289.30	J/mol×K	919.22	Calculated Property
Cp,gas	296.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009926; 0.0002343]	Pa×s	[374.50; 565.89]	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			-1.11841e+01
Coefficient B			1.59871e+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.			374.50
Temperature range, max.			565.89
η	0.0009926	Pa×s	374.50	Calculated Property
η	0.0007891	Pa×s	395.77	Calculated Property
η	0.0006422	Pa×s	417.03	Calculated Property
η	0.0005332	Pa×s	438.30	Calculated Property
η	0.0004504	Pa×s	459.56	Calculated Property
η	0.0003862	Pa×s	480.83	Calculated Property
η	0.0003355	Pa×s	502.09	Calculated Property
η	0.0002947	Pa×s	523.36	Calculated Property
η	0.0002616	Pa×s	544.62	Calculated Property
η	0.0002343	Pa×s	565.89	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-4,6-dichloroanisole.

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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