Chemical Properties of 2-Butanone, 3-bromo- (CAS 814-75-5)

InChI

InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3

InChI Key

BNBOUFHCTIFWHN-UHFFFAOYSA-N

Formula

C4H7BrO

SMILES

CC(=O)C(C)Br

Molecular Weight¹

151.00

CAS

814-75-5

Other Names

• 3-Bromo-2-butanone
• 3-bromobutan-2-one

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.93; 224.32]	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			1.31200e+01
Coefficient B			3.99940e-01
Coefficient C			-2.49700e-04
Coefficient D			6.09600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.93	J/mol×K	273.00	Calculated Property
Cp,gas	126.06	J/mol×K	353.78	Calculated Property
Cp,gas	144.77	J/mol×K	434.56	Calculated Property
Cp,gas	161.25	J/mol×K	515.33	Calculated Property
Cp,gas	175.71	J/mol×K	596.11	Calculated Property
Cp,gas	188.33	J/mol×K	676.89	Calculated Property
Cp,gas	199.31	J/mol×K	757.67	Calculated Property
Cp,gas	208.84	J/mol×K	838.44	Calculated Property
Cp,gas	217.11	J/mol×K	919.22	Calculated Property
Cp,gas	224.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047331; 0.0003676]	Pa×s	[229.57; 430.81]	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			-1.08237e+01
Coefficient B			1.25587e+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.			229.57
Temperature range, max.			430.81
η	0.0047331	Pa×s	229.57	Calculated Property
η	0.0029126	Pa×s	251.93	Calculated Property
η	0.0019400	Pa×s	274.29	Calculated Property
η	0.0013738	Pa×s	296.65	Calculated Property
η	0.0010211	Pa×s	319.01	Calculated Property
η	0.0007890	Pa×s	341.37	Calculated Property
η	0.0006293	Pa×s	363.73	Calculated Property
η	0.0005152	Pa×s	386.09	Calculated Property
η	0.0004312	Pa×s	408.45	Calculated Property
η	0.0003676	Pa×s	430.81	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanone, 3-bromo-.

Sources

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

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