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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.26; 397.39]	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			2.76910e+01
Coefficient B			6.86720e-01
Coefficient C			-3.95920e-04
Coefficient D			7.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.26	J/mol×K	273.00	Calculated Property
Cp,gas	224.58	J/mol×K	353.78	Calculated Property
Cp,gas	257.82	J/mol×K	434.56	Calculated Property
Cp,gas	287.23	J/mol×K	515.33	Calculated Property
Cp,gas	313.08	J/mol×K	596.11	Calculated Property
Cp,gas	335.59	J/mol×K	676.89	Calculated Property
Cp,gas	355.03	J/mol×K	757.67	Calculated Property
Cp,gas	371.65	J/mol×K	838.44	Calculated Property
Cp,gas	385.68	J/mol×K	919.22	Calculated Property
Cp,gas	397.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006596; 0.0002163]	Pa×s	[485.28; 637.64]	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			-1.19904e+01
Coefficient B			2.26459e+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.			485.28
Temperature range, max.			637.64
η	0.0006596	Pa×s	485.28	Calculated Property
η	0.0005636	Pa×s	502.21	Calculated Property
η	0.0004865	Pa×s	519.14	Calculated Property
η	0.0004239	Pa×s	536.07	Calculated Property
η	0.0003725	Pa×s	553.00	Calculated Property
η	0.0003298	Pa×s	569.92	Calculated Property
η	0.0002941	Pa×s	586.85	Calculated Property
η	0.0002639	Pa×s	603.78	Calculated Property
η	0.0002383	Pa×s	620.71	Calculated Property
η	0.0002163	Pa×s	637.64	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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