Chemical Properties of Isobutyl 2,3-dibromopropanoate

InChI

InChI=1S/C7H12Br2O2/c1-5(2)4-11-7(10)6(9)3-8/h5-6H,3-4H2,1-2H3

InChI Key

JJBDIAKOTAVKQO-UHFFFAOYSA-N

Formula

C7H12Br2O2

SMILES

CC(C)COC(=O)C(Br)CBr

Molecular Weight¹

287.98

• 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	[197.66; 407.79]	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			3.49520e+01
Coefficient B			7.02240e-01
Coefficient C			-4.11600e-04
Coefficient D			8.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.66	J/mol×K	273.00	Calculated Property
Cp,gas	235.51	J/mol×K	353.78	Calculated Property
Cp,gas	269.13	J/mol×K	434.56	Calculated Property
Cp,gas	298.78	J/mol×K	515.33	Calculated Property
Cp,gas	324.72	J/mol×K	596.11	Calculated Property
Cp,gas	347.20	J/mol×K	676.89	Calculated Property
Cp,gas	366.49	J/mol×K	757.67	Calculated Property
Cp,gas	382.84	J/mol×K	838.44	Calculated Property
Cp,gas	396.52	J/mol×K	919.22	Calculated Property
Cp,gas	407.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046337; 0.0002526]	Pa×s	[300.58; 533.18]	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			-1.20431e+01
Coefficient B			2.00448e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			300.58
Temperature range, max.			533.18
η	0.0046337	Pa×s	300.58	Calculated Property
η	0.0027329	Pa×s	326.42	Calculated Property
η	0.0017417	Pa×s	352.27	Calculated Property
η	0.0011805	Pa×s	378.11	Calculated Property
η	0.0008409	Pa×s	403.96	Calculated Property
η	0.0006240	Pa×s	429.80	Calculated Property
η	0.0004790	Pa×s	455.64	Calculated Property
η	0.0003782	Pa×s	481.49	Calculated Property
η	0.0003059	Pa×s	507.33	Calculated Property
η	0.0002526	Pa×s	533.18	Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl 2,3-dibromopropanoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.