Chemical Properties of Propanoic acid, 3-bromo- (CAS 590-92-1)

InChI

InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChI Key

DHXNZYCXMFBMHE-UHFFFAOYSA-N

Formula

C3H5BrO2

SMILES

O=C(O)CCBr

Molecular Weight¹

152.97

CAS

590-92-1

Other Names

• Propionic acid, 3-bromo-
• «beta»-Bromopropionic acid
• 2-Carboxyethyl bromide
• 3-Bromopropanoic acid
• 3-Bromopropionic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.73; 193.95]	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			1.29520e+01
Coefficient B			3.77800e-01
Coefficient C			-2.83400e-04
Coefficient D			8.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.73	J/mol×K	273.00	Calculated Property
Cp,gas	114.97	J/mol×K	353.78	Calculated Property
Cp,gas	130.72	J/mol×K	434.56	Calculated Property
Cp,gas	144.23	J/mol×K	515.33	Calculated Property
Cp,gas	155.80	J/mol×K	596.11	Calculated Property
Cp,gas	165.69	J/mol×K	676.89	Calculated Property
Cp,gas	174.18	J/mol×K	757.67	Calculated Property
Cp,gas	181.53	J/mol×K	838.44	Calculated Property
Cp,gas	188.03	J/mol×K	919.22	Calculated Property
Cp,gas	193.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016639; 0.0004137]	Pa×s	[343.97; 484.97]	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			-1.11857e+01
Coefficient B			1.64664e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			343.97
Temperature range, max.			484.97
η	0.0016639	Pa×s	343.97	Calculated Property
η	0.0013507	Pa×s	359.64	Calculated Property
η	0.0011157	Pa×s	375.30	Calculated Property
η	0.0009358	Pa×s	390.97	Calculated Property
η	0.0007957	Pa×s	406.64	Calculated Property
η	0.0006847	Pa×s	422.31	Calculated Property
η	0.0005955	Pa×s	437.97	Calculated Property
η	0.0005230	Pa×s	453.64	Calculated Property
η	0.0004633	Pa×s	469.31	Calculated Property
η	0.0004137	Pa×s	484.97	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-bromo-.

Sources

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

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