Chemical Properties of 3-Bromophenylacetic acid (CAS 1878-67-7)

InChI

InChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChI Key

KYNNBXCGXUOREX-UHFFFAOYSA-N

Formula

C8H7BrO2

SMILES

O=C(O)Cc1cccc(Br)c1

Molecular Weight¹

215.04

CAS

1878-67-7

Other Names

• Benzeneacetic acid, 3-bromo-

• 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).
• P_c : Critical Pressure (kPa).
• 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 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	[148.09; 330.34]	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			-1.11990e+01
Coefficient B			7.14400e-01
Coefficient C			-5.19560e-04
Coefficient D			1.46700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.09	J/mol×K	273.00	Calculated Property
Cp,gas	183.01	J/mol×K	353.78	Calculated Property
Cp,gas	213.17	J/mol×K	434.56	Calculated Property
Cp,gas	239.05	J/mol×K	515.33	Calculated Property
Cp,gas	261.11	J/mol×K	596.11	Calculated Property
Cp,gas	279.82	J/mol×K	676.89	Calculated Property
Cp,gas	295.63	J/mol×K	757.67	Calculated Property
Cp,gas	309.01	J/mol×K	838.44	Calculated Property
Cp,gas	320.43	J/mol×K	919.22	Calculated Property
Cp,gas	330.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010591; 0.0002813]	Pa×s	[439.26; 607.88]	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			-1.16301e+01
Coefficient B			2.09960e+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.			439.26
Temperature range, max.			607.88
η	0.0010591	Pa×s	439.26	Calculated Property
η	0.0008710	Pa×s	458.00	Calculated Property
η	0.0007274	Pa×s	476.73	Calculated Property
η	0.0006158	Pa×s	495.47	Calculated Property
η	0.0005277	Pa×s	514.20	Calculated Property
η	0.0004572	Pa×s	532.94	Calculated Property
η	0.0003999	Pa×s	551.67	Calculated Property
η	0.0003529	Pa×s	570.41	Calculated Property
η	0.0003139	Pa×s	589.15	Calculated Property
η	0.0002813	Pa×s	607.88	Calculated Property

Similar Compounds

Find more compounds similar to 3-Bromophenylacetic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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