Chemical Properties of Methyl 2-bromobutanoate (CAS 69043-96-5)

InChI

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

InChI Key

UFQQDNMQADCHGH-UHFFFAOYSA-N

Formula

C5H9BrO2

SMILES

CCC(Br)C(=O)OC

Molecular Weight¹

181.03

CAS

69043-96-5

• 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).
• 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_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, Log10 of Water solubility in mol/l 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	[141.56; 295.00]	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			3.02610e+01
Coefficient B			4.68140e-01
Coefficient C			-2.28200e-04
Coefficient D			2.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.56	J/mol×K	273.00	Calculated Property
Cp,gas	168.42	J/mol×K	353.78	Calculated Property
Cp,gas	192.64	J/mol×K	434.56	Calculated Property
Cp,gas	214.30	J/mol×K	515.33	Calculated Property
Cp,gas	233.49	J/mol×K	596.11	Calculated Property
Cp,gas	250.27	J/mol×K	676.89	Calculated Property
Cp,gas	264.74	J/mol×K	757.67	Calculated Property
Cp,gas	276.97	J/mol×K	838.44	Calculated Property
Cp,gas	287.03	J/mol×K	919.22	Calculated Property
Cp,gas	295.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063850; 0.0003033]	Pa×s	[233.24; 444.98]	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			-1.14573e+01
Coefficient B			1.49356e+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.			233.24
Temperature range, max.			444.98
η	0.0063850	Pa×s	233.24	Calculated Property
η	0.0035510	Pa×s	256.77	Calculated Property
η	0.0021793	Pa×s	280.29	Calculated Property
η	0.0014425	Pa×s	303.82	Calculated Property
η	0.0010131	Pa×s	327.35	Calculated Property
η	0.0007461	Pa×s	350.87	Calculated Property
η	0.0005710	Pa×s	374.40	Calculated Property
η	0.0004510	Pa×s	397.93	Calculated Property
η	0.0003658	Pa×s	421.45	Calculated Property
η	0.0003033	Pa×s	444.98	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 2-bromobutanoate.

Sources

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

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