Chemical Properties of 4-Bromo-o-toloxy acetic acid (CAS 25477-00-3)

InChI

InChI=1S/C9H9BrO3/c1-6-2-3-7(10)4-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChI Key

KQQHLMBLDZPBCO-UHFFFAOYSA-N

Formula

C9H9BrO3

SMILES

Cc1ccc(Br)cc1OCC(=O)O

Molecular Weight¹

245.07

CAS

25477-00-3

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Ionization energy 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	[335.43; 384.35]	J/mol×K	[676.25; 910.91]
Cp,gas	335.43	J/mol×K	676.25	Joback Calculated Property
Cp,gas	345.22	J/mol×K	715.36	Joback Calculated Property
Cp,gas	354.32	J/mol×K	754.47	Joback Calculated Property
Cp,gas	362.75	J/mol×K	793.58	Joback Calculated Property
Cp,gas	370.55	J/mol×K	832.69	Joback Calculated Property
Cp,gas	377.74	J/mol×K	871.80	Joback Calculated Property
Cp,gas	384.35	J/mol×K	910.91	Joback Calculated Property
η	[0.0001766; 0.0006596]	Pa×s	[485.28; 676.25]
η	0.0006596	Pa×s	485.28	Joback Calculated Property
η	0.0004949	Pa×s	517.11	Joback Calculated Property
η	0.0003839	Pa×s	548.94	Joback Calculated Property
η	0.0003062	Pa×s	580.76	Joback Calculated Property
η	0.0002501	Pa×s	612.59	Joback Calculated Property
η	0.0002083	Pa×s	644.42	Joback Calculated Property
η	0.0001766	Pa×s	676.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromo-o-toloxy acetic 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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