Chemical Properties of 2-Bromo-3-methoxybenzoic acid (CAS 88377-29-1)

InChI

InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key

AOGGEUOQUYCZAH-UHFFFAOYSA-N

Formula

C8H7BrO3

SMILES

COc1cccc(C(=O)O)c1Br

Molecular Weight¹

231.04

CAS

88377-29-1

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[166.05; 345.80]	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			2.86000e+01
Coefficient B			5.91720e-01
Coefficient C			-3.41520e-04
Coefficient D			6.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.05	J/mol×K	273.00	Calculated Property
Cp,gas	198.16	J/mol×K	353.78	Calculated Property
Cp,gas	226.74	J/mol×K	434.56	Calculated Property
Cp,gas	252.01	J/mol×K	515.33	Calculated Property
Cp,gas	274.16	J/mol×K	596.11	Calculated Property
Cp,gas	293.43	J/mol×K	676.89	Calculated Property
Cp,gas	310.02	J/mol×K	757.67	Calculated Property
Cp,gas	324.13	J/mol×K	838.44	Calculated Property
Cp,gas	335.99	J/mol×K	919.22	Calculated Property
Cp,gas	345.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006951; 0.0002299]	Pa×s	[474.01; 625.05]	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			-1.18504e+01
Coefficient B			2.17043e+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.			474.01
Temperature range, max.			625.05
η	0.0006951	Pa×s	474.01	Calculated Property
η	0.0005943	Pa×s	490.79	Calculated Property
η	0.0005135	Pa×s	507.57	Calculated Property
η	0.0004478	Pa×s	524.36	Calculated Property
η	0.0003939	Pa×s	541.14	Calculated Property
η	0.0003491	Pa×s	557.92	Calculated Property
η	0.0003116	Pa×s	574.70	Calculated Property
η	0.0002799	Pa×s	591.48	Calculated Property
η	0.0002530	Pa×s	608.27	Calculated Property
η	0.0002299	Pa×s	625.05	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-3-methoxybenzoic 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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