Chemical Properties of 3-BROMOPROPIONYL CHLORIDE

InChI

InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2

InChI Key

IHBVNSPHKMCPST-UHFFFAOYSA-N

Formula

C3H4BrClO

SMILES

O=C(Cl)CCBr

Molecular Weight¹

171.42

Other Names

• «beta»-Bromopropionyl chloride
• Propanoyl chloride, 3-bromo-
• 3-Bromopropanoyl chloride

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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 vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.44; 180.46]	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			2.86020e+01
Coefficient B			3.05800e-01
Coefficient C			-2.12500e-04
Coefficient D			5.85600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	97.44	J/mol×K	273.00	Calculated Property
Cp,gas	112.78	J/mol×K	353.78	Calculated Property
Cp,gas	126.17	J/mol×K	434.56	Calculated Property
Cp,gas	137.77	J/mol×K	515.33	Calculated Property
Cp,gas	147.79	J/mol×K	596.11	Calculated Property
Cp,gas	156.39	J/mol×K	676.89	Calculated Property
Cp,gas	163.78	J/mol×K	757.67	Calculated Property
Cp,gas	170.13	J/mol×K	838.44	Calculated Property
Cp,gas	175.63	J/mol×K	919.22	Calculated Property
Cp,gas	180.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032237; 0.0004330]	Pa×s	[263.22; 444.63]	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			-1.06579e+01
Coefficient B			1.29521e+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.			263.22
Temperature range, max.			444.63
η	0.0032237	Pa×s	263.22	Calculated Property
η	0.0022716	Pa×s	283.38	Calculated Property
η	0.0016770	Pa×s	303.53	Calculated Property
η	0.0012856	Pa×s	323.69	Calculated Property
η	0.0010168	Pa×s	343.85	Calculated Property
η	0.0008254	Pa×s	364.00	Calculated Property
η	0.0006848	Pa×s	384.16	Calculated Property
η	0.0005789	Pa×s	404.32	Calculated Property
η	0.0004972	Pa×s	424.48	Calculated Property
η	0.0004330	Pa×s	444.63	Calculated Property

Similar Compounds

Find more compounds similar to 3-BROMOPROPIONYL CHLORIDE.

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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