Chemical Properties of Propanoyl bromide, 2-bromo-2-methyl-

InChI

InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3

InChI Key

YOCIJWAHRAJQFT-UHFFFAOYSA-N

Formula

C4H6Br2O

SMILES

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

Molecular Weight¹

229.90

Other Names

• 2-Bromoisobutyryl bromide
• «alpha»-Bromoisobutyryl bromide
• 2-Bromo-2-methyl-propionyl bromide

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[117.78; 234.32]	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			-1.48000e+00
Coefficient B			5.58040e-01
Coefficient C			-4.89700e-04
Coefficient D			1.67460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.78	J/mol×K	273.00	Calculated Property
Cp,gas	142.07	J/mol×K	353.78	Calculated Property
Cp,gas	162.29	J/mol×K	434.56	Calculated Property
Cp,gas	178.97	J/mol×K	515.33	Calculated Property
Cp,gas	192.63	J/mol×K	596.11	Calculated Property
Cp,gas	203.82	J/mol×K	676.89	Calculated Property
Cp,gas	213.05	J/mol×K	757.67	Calculated Property
Cp,gas	220.86	J/mol×K	838.44	Calculated Property
Cp,gas	227.77	J/mol×K	919.22	Calculated Property
Cp,gas	234.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035573; 0.0004093]	Pa×s	[306.79; 495.22]	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			-1.13214e+01
Coefficient B			1.74337e+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.			306.79
Temperature range, max.			495.22
η	0.0035573	Pa×s	306.79	Calculated Property
η	0.0024744	Pa×s	327.73	Calculated Property
η	0.0017978	Pa×s	348.66	Calculated Property
η	0.0013543	Pa×s	369.60	Calculated Property
η	0.0010517	Pa×s	390.54	Calculated Property
η	0.0008380	Pa×s	411.47	Calculated Property
η	0.0006826	Pa×s	432.41	Calculated Property
η	0.0005666	Pa×s	453.35	Calculated Property
η	0.0004782	Pa×s	474.28	Calculated Property
η	0.0004093	Pa×s	495.22	Calculated Property

Similar Compounds

Find more compounds similar to Propanoyl bromide, 2-bromo-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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