Chemical Properties of 2-BROMOPROPIONYL BROMIDE

InChI

InChI=1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3

InChI Key

ILLHORFDXDLILE-UHFFFAOYSA-N

Formula

C3H4Br2O

SMILES

CC(Br)C(=O)Br

Molecular Weight¹

215.87

Other Names

• «alpha»-Bromopropionyl bromide
• Propanoyl bromide, 2-bromo-

• 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	[97.71; 181.80]	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			2.22200e+01
Coefficient B			3.43120e-01
Coefficient C			-2.66700e-04
Coefficient D			8.31600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	97.71	J/mol×K	273.00	Calculated Property
Cp,gas	113.91	J/mol×K	353.78	Calculated Property
Cp,gas	127.79	J/mol×K	434.56	Calculated Property
Cp,gas	139.60	J/mol×K	515.33	Calculated Property
Cp,gas	149.60	J/mol×K	596.11	Calculated Property
Cp,gas	158.07	J/mol×K	676.89	Calculated Property
Cp,gas	165.26	J/mol×K	757.67	Calculated Property
Cp,gas	171.44	J/mol×K	838.44	Calculated Property
Cp,gas	176.86	J/mol×K	919.22	Calculated Property
Cp,gas	181.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037576; 0.0004305]	Pa×s	[278.10; 476.65]	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			-1.07853e+01
Coefficient B			1.44649e+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.			278.10
Temperature range, max.			476.65
η	0.0037576	Pa×s	278.10	Calculated Property
η	0.0025638	Pa×s	300.16	Calculated Property
η	0.0018433	Pa×s	322.22	Calculated Property
η	0.0013825	Pa×s	344.28	Calculated Property
η	0.0010735	Pa×s	366.34	Calculated Property
η	0.0008578	Pa×s	388.40	Calculated Property
η	0.0007022	Pa×s	410.46	Calculated Property
η	0.0005867	Pa×s	432.52	Calculated Property
η	0.0004988	Pa×s	454.59	Calculated Property
η	0.0004305	Pa×s	476.65	Calculated Property

Similar Compounds

Find more compounds similar to 2-BROMOPROPIONYL BROMIDE.

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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