Chemical Properties of 2-Bromo-4,5-dimethoxyphenylacetic acid

InChI

InChI=1S/C10H11BrO4/c1-14-8-3-6(4-10(12)13)7(11)5-9(8)15-2/h3,5H,4H2,1-2H3,(H,12,13)

InChI Key

MDOLAGJKKZEHHW-UHFFFAOYSA-N

Formula

C10H11BrO4

SMILES

COc1cc(Br)c(CC(=O)O)cc1OC

Molecular Weight¹

275.10

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[226.43; 464.44]	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			6.65810e+01
Coefficient B			6.59040e-01
Coefficient C			-2.72280e-04
Coefficient D			1.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.43	J/mol×K	273.00	Calculated Property
Cp,gas	266.15	J/mol×K	353.78	Calculated Property
Cp,gas	302.46	J/mol×K	434.56	Calculated Property
Cp,gas	335.42	J/mol×K	515.33	Calculated Property
Cp,gas	365.04	J/mol×K	596.11	Calculated Property
Cp,gas	391.37	J/mol×K	676.89	Calculated Property
Cp,gas	414.44	J/mol×K	757.67	Calculated Property
Cp,gas	434.28	J/mol×K	838.44	Calculated Property
Cp,gas	450.94	J/mol×K	919.22	Calculated Property
Cp,gas	464.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004126; 0.0001618]	Pa×s	[531.30; 668.11]	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			-1.23659e+01
Coefficient B			2.42958e+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.			531.30
Temperature range, max.			668.11
η	0.0004126	Pa×s	531.30	Calculated Property
η	0.0003633	Pa×s	546.50	Calculated Property
η	0.0003222	Pa×s	561.70	Calculated Property
η	0.0002874	Pa×s	576.90	Calculated Property
η	0.0002580	Pa×s	592.11	Calculated Property
η	0.0002328	Pa×s	607.31	Calculated Property
η	0.0002111	Pa×s	622.51	Calculated Property
η	0.0001924	Pa×s	637.71	Calculated Property
η	0.0001761	Pa×s	652.91	Calculated Property
η	0.0001618	Pa×s	668.11	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-4,5-dimethoxyphenylacetic acid.

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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