Chemical Properties of .alpha.-Bromophenyl acetic acid

InChI

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

InChI Key

WAKFRZBXTKUFIW-UHFFFAOYSA-N

Formula

C8H7BrO2

SMILES

O=C(O)C(Br)c1ccccc1

Molecular Weight¹

215.05

Other Names

• dl-«alpha»-Bromophenylacetic acid
• Benzeneacetic acid, «alpha»-bromo-
• bromo(phenyl)acetic acid

• 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_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, 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	[145.23; 333.92]	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			-2.71800e+01
Coefficient B			7.79800e-01
Coefficient C			-5.89800e-04
Coefficient D			1.71100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.23	J/mol×K	273.00	Calculated Property
Cp,gas	182.45	J/mol×K	353.78	Calculated Property
Cp,gas	214.35	J/mol×K	434.56	Calculated Property
Cp,gas	241.46	J/mol×K	515.33	Calculated Property
Cp,gas	264.33	J/mol×K	596.11	Calculated Property
Cp,gas	283.49	J/mol×K	676.89	Calculated Property
Cp,gas	299.49	J/mol×K	757.67	Calculated Property
Cp,gas	312.87	J/mol×K	838.44	Calculated Property
Cp,gas	324.16	J/mol×K	919.22	Calculated Property
Cp,gas	333.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014409; 0.0002604]	Pa×s	[411.74; 607.17]	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			-1.18581e+01
Coefficient B			2.18868e+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.			411.74
Temperature range, max.			607.17
η	0.0014409	Pa×s	411.74	Calculated Property
η	0.0011041	Pa×s	433.45	Calculated Property
η	0.0008677	Pa×s	455.17	Calculated Property
η	0.0006971	Pa×s	476.88	Calculated Property
η	0.0005708	Pa×s	498.60	Calculated Property
η	0.0004753	Pa×s	520.31	Calculated Property
η	0.0004015	Pa×s	542.03	Calculated Property
η	0.0003437	Pa×s	563.74	Calculated Property
η	0.0002976	Pa×s	585.45	Calculated Property
η	0.0002604	Pa×s	607.17	Calculated Property

Similar Compounds

Find more compounds similar to .alpha.-Bromophenyl 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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