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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[405.93; 457.21]	J/mol×K	[726.53; 954.45]
Cp,gas	405.93	J/mol×K	726.53	Joback Calculated Property
Cp,gas	416.24	J/mol×K	764.52	Joback Calculated Property
Cp,gas	425.85	J/mol×K	802.50	Joback Calculated Property
Cp,gas	434.74	J/mol×K	840.49	Joback Calculated Property
Cp,gas	442.93	J/mol×K	878.48	Joback Calculated Property
Cp,gas	450.42	J/mol×K	916.46	Joback Calculated Property
Cp,gas	457.21	J/mol×K	954.45	Joback Calculated Property
η	[0.0001208; 0.0004126]	Pa×s	[531.30; 726.53]
η	0.0004126	Pa×s	531.30	Joback Calculated Property
η	0.0003169	Pa×s	563.84	Joback Calculated Property
η	0.0002505	Pa×s	596.38	Joback Calculated Property
η	0.0002029	Pa×s	628.91	Joback Calculated Property
η	0.0001678	Pa×s	661.45	Joback Calculated Property
η	0.0001412	Pa×s	693.99	Joback Calculated Property
η	0.0001208	Pa×s	726.53	Joback 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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