Chemical Properties of 2-Bromopropanoic acid (CAS 598-72-1)

InChI

InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

InChI Key

MONMFXREYOKQTI-UHFFFAOYSA-N

Formula

C3H5BrO2

SMILES

CC(Br)C(=O)O

Molecular Weight¹

152.97

CAS

598-72-1

Other Names

• «alpha»-Bromopropionic acid
• 2-Bromopropionic acid
• Propanoic acid, 2-bromo-
• Propionic acid, 2-bromo-

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.42; 194.49]	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			1.12700e+01
Coefficient B			3.83720e-01
Coefficient C			-2.86600e-04
Coefficient D			8.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.42	J/mol×K	273.00	Calculated Property
Cp,gas	114.96	J/mol×K	353.78	Calculated Property
Cp,gas	130.96	J/mol×K	434.56	Calculated Property
Cp,gas	144.69	J/mol×K	515.33	Calculated Property
Cp,gas	156.41	J/mol×K	596.11	Calculated Property
Cp,gas	166.39	J/mol×K	676.89	Calculated Property
Cp,gas	174.93	J/mol×K	757.67	Calculated Property
Cp,gas	182.27	J/mol×K	838.44	Calculated Property
Cp,gas	188.70	J/mol×K	919.22	Calculated Property
Cp,gas	194.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020308; 0.0003823]	Pa×s	[328.97; 488.19]	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			-1.13197e+01
Coefficient B			1.68446e+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.			328.97
Temperature range, max.			488.19
η	0.0020308	Pa×s	328.97	Calculated Property
η	0.0015638	Pa×s	346.66	Calculated Property
η	0.0012351	Pa×s	364.35	Calculated Property
η	0.0009971	Pa×s	382.04	Calculated Property
η	0.0008203	Pa×s	399.74	Calculated Property
η	0.0006862	Pa×s	417.43	Calculated Property
η	0.0005823	Pa×s	435.12	Calculated Property
η	0.0005006	Pa×s	452.81	Calculated Property
η	0.0004353	Pa×s	470.50	Calculated Property
η	0.0003823	Pa×s	488.19	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromopropanoic acid.

Sources

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

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