Chemical Properties of Butanoyl chloride, 4-bromo-

InChI

InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2

InChI Key

LRTRXDSAJLSRTG-UHFFFAOYSA-N

Formula

C4H6BrClO

SMILES

O=C(Cl)CCCBr

Molecular Weight¹

185.45

Other Names

• 4-Bromobutanoyl chloride
• 4-Bromobutyryl chloride
• Butyryl chloride, 4-bromo-
• «gamma»-Bromobutyroyl chloride
• «gamma»-Bromobutyryl chloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[118.65; 232.05]	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			2.76930e+01
Coefficient B			4.00800e-01
Coefficient C			-2.66900e-04
Coefficient D			7.04600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.65	J/mol×K	273.00	Calculated Property
Cp,gas	139.20	J/mol×K	353.78	Calculated Property
Cp,gas	157.24	J/mol×K	434.56	Calculated Property
Cp,gas	173.00	J/mol×K	515.33	Calculated Property
Cp,gas	186.70	J/mol×K	596.11	Calculated Property
Cp,gas	198.55	J/mol×K	676.89	Calculated Property
Cp,gas	208.80	J/mol×K	757.67	Calculated Property
Cp,gas	217.64	J/mol×K	838.44	Calculated Property
Cp,gas	225.32	J/mol×K	919.22	Calculated Property
Cp,gas	232.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032909; 0.0004306]	Pa×s	[274.49; 458.86]	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			-1.07782e+01
Coefficient B			1.38937e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			274.49
Temperature range, max.			458.86
η	0.0032909	Pa×s	274.49	Calculated Property
η	0.0023155	Pa×s	294.98	Calculated Property
η	0.0017053	Pa×s	315.46	Calculated Property
η	0.0013037	Pa×s	335.95	Calculated Property
η	0.0010279	Pa×s	356.43	Calculated Property
η	0.0008316	Pa×s	376.92	Calculated Property
η	0.0006877	Pa×s	397.41	Calculated Property
η	0.0005794	Pa×s	417.89	Calculated Property
η	0.0004960	Pa×s	438.38	Calculated Property
η	0.0004306	Pa×s	458.86	Calculated Property

Similar Compounds

Find more compounds similar to Butanoyl chloride, 4-bromo-.

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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