Chemical Properties of 2-Bromovaleric acid

InChI

InChI=1S/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)

InChI Key

WMFATTFQNRPXBQ-UHFFFAOYSA-N

Formula

C5H9BrO2

SMILES

CCCC(Br)C(=O)O

Molecular Weight¹

181.03

Other Names

• «alpha»-Bromovaleric acid
• «alpha»-Bromo-n-valeric acid
• Pentanoic acid, 2-bromo-
• «alpha»-Bromopentanoic acid
• Valeric acid, «alpha»-bromo-
• Valeric acid, 2-bromo-
• 2-Bromopentanoic 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).
• P_c : Critical Pressure (kPa).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.84; 297.67]	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			9.45200e+00
Coefficient B			5.73720e-01
Coefficient C			-3.95400e-04
Coefficient D			1.09900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.84	J/mol×K	273.00	Calculated Property
Cp,gas	167.80	J/mol×K	353.78	Calculated Property
Cp,gas	193.12	J/mol×K	434.56	Calculated Property
Cp,gas	215.14	J/mol×K	515.33	Calculated Property
Cp,gas	234.23	J/mol×K	596.11	Calculated Property
Cp,gas	250.72	J/mol×K	676.89	Calculated Property
Cp,gas	264.96	J/mol×K	757.67	Calculated Property
Cp,gas	277.30	J/mol×K	838.44	Calculated Property
Cp,gas	288.09	J/mol×K	919.22	Calculated Property
Cp,gas	297.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019862; 0.0003648]	Pa×s	[351.51; 515.47]	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			-1.15493e+01
Coefficient B			1.87278e+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.			351.51
Temperature range, max.			515.47
η	0.0019862	Pa×s	351.51	Calculated Property
η	0.0015276	Pa×s	369.73	Calculated Property
η	0.0012042	Pa×s	387.95	Calculated Property
η	0.0009698	Pa×s	406.16	Calculated Property
η	0.0007956	Pa×s	424.38	Calculated Property
η	0.0006635	Pa×s	442.60	Calculated Property
η	0.0005613	Pa×s	460.82	Calculated Property
η	0.0004809	Pa×s	479.04	Calculated Property
η	0.0004167	Pa×s	497.25	Calculated Property
η	0.0003648	Pa×s	515.47	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromovaleric acid.

Sources

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

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