Chemical Properties of Butanoic acid, 2-bromo-3-methyl- (CAS 565-74-2)

InChI

InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)

InChI Key

UEBARDWJXBGYEJ-UHFFFAOYSA-N

Formula

C5H9BrO2

SMILES

CC(C)C(Br)C(=O)O

Molecular Weight¹

181.03

CAS

565-74-2

Other Names

• Butyric acid, 2-bromo-3-methyl-
• «alpha»-Bromoisovaleric acid
• 2-Bromo-3-methylbutyric acid
• 2-Bromoisovaleric acid
• 2-Bromo-3-methylbutanoic acid
• NSC 167
• Isovaleric acid, «alpha»-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_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

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.53; 298.21]	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			7.77000e+00
Coefficient B			5.79640e-01
Coefficient C			-3.98600e-04
Coefficient D			1.09400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.53	J/mol×K	273.00	Calculated Property
Cp,gas	167.79	J/mol×K	353.78	Calculated Property
Cp,gas	193.36	J/mol×K	434.56	Calculated Property
Cp,gas	215.59	J/mol×K	515.33	Calculated Property
Cp,gas	234.83	J/mol×K	596.11	Calculated Property
Cp,gas	251.42	J/mol×K	676.89	Calculated Property
Cp,gas	265.71	J/mol×K	757.67	Calculated Property
Cp,gas	278.04	J/mol×K	838.44	Calculated Property
Cp,gas	288.76	J/mol×K	919.22	Calculated Property
Cp,gas	298.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024648; 0.0003360]	Pa×s	[336.51; 518.49]	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			-1.16833e+01
Coefficient B			1.91060e+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.			336.51
Temperature range, max.			518.49
η	0.0024648	Pa×s	336.51	Calculated Property
η	0.0017865	Pa×s	356.73	Calculated Property
η	0.0013404	Pa×s	376.95	Calculated Property
η	0.0010355	Pa×s	397.17	Calculated Property
η	0.0008203	Pa×s	417.39	Calculated Property
η	0.0006639	Pa×s	437.61	Calculated Property
η	0.0005475	Pa×s	457.83	Calculated Property
η	0.0004589	Pa×s	478.05	Calculated Property
η	0.0003902	Pa×s	498.27	Calculated Property
η	0.0003360	Pa×s	518.49	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-bromo-3-methyl-.

Sources

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

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