Chemical Properties of 2-(4-Bromophenyl)propionic acid

InChI

InChI=1S/C9H9BrO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)

InChI Key

PFDBEACWLCHWRZ-UHFFFAOYSA-N

Formula

C9H9BrO2

SMILES

CC(C(=O)O)c1ccc(Br)cc1

Molecular Weight¹

229.07

Other Names

• Benzeneacetic acid, 4-bromo-«alpha»-methyl-
• 2-(4-Bromophenyl)propanoic 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).
• I_np : Non-polar retention indices.
• 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	[168.99; 382.47]	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			-1.37900e+01
Coefficient B			8.15320e-01
Coefficient C			-5.77160e-04
Coefficient D			1.58100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.99	J/mol×K	273.00	Calculated Property
Cp,gas	209.42	J/mol×K	353.78	Calculated Property
Cp,gas	244.50	J/mol×K	434.56	Calculated Property
Cp,gas	274.73	J/mol×K	515.33	Calculated Property
Cp,gas	300.63	J/mol×K	596.11	Calculated Property
Cp,gas	322.68	J/mol×K	676.89	Calculated Property
Cp,gas	341.39	J/mol×K	757.67	Calculated Property
Cp,gas	357.26	J/mol×K	838.44	Calculated Property
Cp,gas	370.79	J/mol×K	919.22	Calculated Property
Cp,gas	382.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011407; 0.0002433]	Pa×s	[435.53; 623.57]	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			-1.19000e+01
Coefficient B			2.23158e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			435.53
Temperature range, max.			623.57
η	0.0011407	Pa×s	435.53	Calculated Property
η	0.0009022	Pa×s	456.42	Calculated Property
η	0.0007284	Pa×s	477.32	Calculated Property
η	0.0005987	Pa×s	498.21	Calculated Property
η	0.0004999	Pa×s	519.10	Calculated Property
η	0.0004233	Pa×s	540.00	Calculated Property
η	0.0003629	Pa×s	560.89	Calculated Property
η	0.0003146	Pa×s	581.78	Calculated Property
η	0.0002754	Pa×s	602.68	Calculated Property
η	0.0002433	Pa×s	623.57	Calculated Property

Similar Compounds

Find more compounds similar to 2-(4-Bromophenyl)propionic 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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