Chemical Properties of 3,4-Ethylenedioxybromobenzene

InChI

InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2

InChI Key

LFCURAJBHDNUNG-UHFFFAOYSA-N

Formula

C8H7BrO2

SMILES

Brc1ccc2c(c1)OCCO2

Molecular Weight¹

215.05

Other Names

• 1,4-Benzodioxin, 6-bromo-2,3-dihydro-
• 6-bromo-2,3-dihydro-1,4-benzodioxin

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[141.15; 330.42]	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			-2.81600e+01
Coefficient B			7.65900e-01
Coefficient C			-5.81320e-04
Coefficient D			1.74000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.15	J/mol×K	273.00	Calculated Property
Cp,gas	177.75	J/mol×K	353.78	Calculated Property
Cp,gas	209.17	J/mol×K	434.56	Calculated Property
Cp,gas	235.97	J/mol×K	515.33	Calculated Property
Cp,gas	258.69	J/mol×K	596.11	Calculated Property
Cp,gas	277.88	J/mol×K	676.89	Calculated Property
Cp,gas	294.11	J/mol×K	757.67	Calculated Property
Cp,gas	307.90	J/mol×K	838.44	Calculated Property
Cp,gas	319.82	J/mol×K	919.22	Calculated Property
Cp,gas	330.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022044; 0.0004184]	Pa×s	[362.98; 566.60]	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			-1.07411e+01
Coefficient B			1.67836e+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.			362.98
Temperature range, max.			566.60
η	0.0022044	Pa×s	362.98	Calculated Property
η	0.0016806	Pa×s	385.60	Calculated Property
η	0.0013204	Pa×s	408.23	Calculated Property
η	0.0010640	Pa×s	430.85	Calculated Property
η	0.0008761	Pa×s	453.48	Calculated Property
η	0.0007348	Pa×s	476.10	Calculated Property
η	0.0006262	Pa×s	498.73	Calculated Property
η	0.0005411	Pa×s	521.35	Calculated Property
η	0.0004733	Pa×s	543.98	Calculated Property
η	0.0004184	Pa×s	566.60	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Ethylenedioxybromobenzene.

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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