Chemical Properties of Isobutyl 2-bromobutanoate

InChI

InChI=1S/C8H15BrO2/c1-4-7(9)8(10)11-5-6(2)3/h6-7H,4-5H2,1-3H3

InChI Key

FIUCVOFYLPLFAI-UHFFFAOYSA-N

Formula

C8H15BrO2

SMILES

CCC(Br)C(=O)OCC(C)C

Molecular Weight¹

223.11

• 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).
• 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 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	[204.89; 450.31]	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			2.58520e+01
Coefficient B			7.59060e-01
Coefficient C			-3.94600e-04
Coefficient D			6.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.89	J/mol×K	273.00	Calculated Property
Cp,gas	247.66	J/mol×K	353.78	Calculated Property
Cp,gas	286.11	J/mol×K	434.56	Calculated Property
Cp,gas	320.44	J/mol×K	515.33	Calculated Property
Cp,gas	350.83	J/mol×K	596.11	Calculated Property
Cp,gas	377.46	J/mol×K	676.89	Calculated Property
Cp,gas	400.54	J/mol×K	757.67	Calculated Property
Cp,gas	420.25	J/mol×K	838.44	Calculated Property
Cp,gas	436.77	J/mol×K	919.22	Calculated Property
Cp,gas	450.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083716; 0.0002525]	Pa×s	[252.05; 490.84]	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			-1.19793e+01
Coefficient B			1.81386e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			252.05
Temperature range, max.			490.84
η	0.0083716	Pa×s	252.05	Calculated Property
η	0.0042184	Pa×s	278.58	Calculated Property
η	0.0023947	Pa×s	305.11	Calculated Property
η	0.0014884	Pa×s	331.65	Calculated Property
η	0.0009926	Pa×s	358.18	Calculated Property
η	0.0007000	Pa×s	384.71	Calculated Property
η	0.0005164	Pa×s	411.24	Calculated Property
η	0.0003953	Pa×s	437.78	Calculated Property
η	0.0003119	Pa×s	464.31	Calculated Property
η	0.0002525	Pa×s	490.84	Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl 2-bromobutanoate.

Sources

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

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