Chemical Properties of 1,2-Dibromo-4,5-methylenedioxybenzene (CAS 5279-32-3)

InChI

InChI=1S/C7H4Br2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2

InChI Key

WPYAICCSYGUFTK-UHFFFAOYSA-N

Formula

C7H4Br2O2

SMILES

Brc1cc2c(cc1Br)OCO2

Molecular Weight¹

279.91

CAS

5279-32-3

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[141.36; 283.08]	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			3.60000e-01
Coefficient B			6.59200e-01
Coefficient C			-5.77680e-04
Coefficient D			2.01200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.36	J/mol×K	273.00	Calculated Property
Cp,gas	170.18	J/mol×K	353.78	Calculated Property
Cp,gas	194.24	J/mol×K	434.56	Calculated Property
Cp,gas	214.19	J/mol×K	515.33	Calculated Property
Cp,gas	230.66	J/mol×K	596.11	Calculated Property
Cp,gas	244.28	J/mol×K	676.89	Calculated Property
Cp,gas	255.70	J/mol×K	757.67	Calculated Property
Cp,gas	265.55	J/mol×K	838.44	Calculated Property
Cp,gas	274.46	J/mol×K	919.22	Calculated Property
Cp,gas	283.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017448; 0.0005790]	Pa×s	[427.55; 605.58]	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			-1.01035e+01
Coefficient B			1.60435e+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.			427.55
Temperature range, max.			605.58
η	0.0017448	Pa×s	427.55	Calculated Property
η	0.0014781	Pa×s	447.33	Calculated Property
η	0.0012698	Pa×s	467.11	Calculated Property
η	0.0011044	Pa×s	486.89	Calculated Property
η	0.0009711	Pa×s	506.67	Calculated Property
η	0.0008622	Pa×s	526.45	Calculated Property
η	0.0007721	Pa×s	546.23	Calculated Property
η	0.0006968	Pa×s	566.02	Calculated Property
η	0.0006332	Pa×s	585.80	Calculated Property
η	0.0005790	Pa×s	605.58	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dibromo-4,5-methylenedioxybenzene.

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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