Chemical Properties of 2-bromo-dibenzo-dioxin

InChI

InChI=1S/C12H7BrO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H

InChI Key

GSUCEGNAROQSGU-UHFFFAOYSA-N

Formula

C12H7BrO2

SMILES

Brc1ccc2c(c1)Oc1ccccc1O2

Molecular Weight¹

263.09

• 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).
• IE : Ionization energy (eV).
• 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_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 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	[181.08; 411.66]	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			-4.11600e+01
Coefficient B			1.02670e+00
Coefficient C			-8.55880e-04
Coefficient D			2.82000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.08	J/mol×K	273.00	Calculated Property
Cp,gas	227.43	J/mol×K	353.78	Calculated Property
Cp,gas	266.52	J/mol×K	434.56	Calculated Property
Cp,gas	299.23	J/mol×K	515.33	Calculated Property
Cp,gas	326.47	J/mol×K	596.11	Calculated Property
Cp,gas	349.11	J/mol×K	676.89	Calculated Property
Cp,gas	368.07	J/mol×K	757.67	Calculated Property
Cp,gas	384.21	J/mol×K	838.44	Calculated Property
Cp,gas	398.45	J/mol×K	919.22	Calculated Property
Cp,gas	411.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016940; 0.0005672]	Pa×s	[454.04; 656.57]	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			-9.92750e+00
Coefficient B			1.61042e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			454.04
Temperature range, max.			656.57
η	0.0016940	Pa×s	454.04	Calculated Property
η	0.0014328	Pa×s	476.54	Calculated Property
η	0.0012303	Pa×s	499.05	Calculated Property
η	0.0010704	Pa×s	521.55	Calculated Property
η	0.0009420	Pa×s	544.05	Calculated Property
η	0.0008376	Pa×s	566.56	Calculated Property
η	0.0007514	Pa×s	589.06	Calculated Property
η	0.0006795	Pa×s	611.56	Calculated Property
η	0.0006188	Pa×s	634.07	Calculated Property
η	0.0005672	Pa×s	656.57	Calculated Property

Similar Compounds

Find more compounds similar to 2-bromo-dibenzo-dioxin.

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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