Chemical Properties of 1-Propanone, 2-bromo-1-phenyl-

InChI

InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3

InChI Key

WPDWOCRJBPXJFM-UHFFFAOYSA-N

Formula

C9H9BrO

SMILES

CC(Br)C(=O)c1ccccc1

Molecular Weight¹

213.07

Other Names

• 1-Benzoyl-1-bromoethane
• «alpha»-Bromoethyl phenyl ketone
• 1-Bromoethyl phenyl ketone
• «alpha»-Bromopropiophenone
• 2-Bromopropiophenone
• «alpha»-Methylphenacyl bromide
• Propiophenone, 2-bromo-
• alpha-Bromopropiophenone
• TL 336
• NSC 89689

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.75; 363.75]	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			-2.53300e+01
Coefficient B			7.96020e-01
Coefficient C			-5.52900e-04
Coefficient D			1.45960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.75	J/mol×K	273.00	Calculated Property
Cp,gas	193.55	J/mol×K	353.78	Calculated Property
Cp,gas	228.15	J/mol×K	434.56	Calculated Property
Cp,gas	258.03	J/mol×K	515.33	Calculated Property
Cp,gas	283.63	J/mol×K	596.11	Calculated Property
Cp,gas	305.43	J/mol×K	676.89	Calculated Property
Cp,gas	323.88	J/mol×K	757.67	Calculated Property
Cp,gas	339.44	J/mol×K	838.44	Calculated Property
Cp,gas	352.57	J/mol×K	919.22	Calculated Property
Cp,gas	363.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032693; 0.0002802]	Pa×s	[312.34; 553.76]	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			-1.13584e+01
Coefficient B			1.76009e+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.			312.34
Temperature range, max.			553.76
η	0.0032693	Pa×s	312.34	Calculated Property
η	0.0020936	Pa×s	339.16	Calculated Property
η	0.0014312	Pa×s	365.99	Calculated Property
η	0.0010306	Pa×s	392.81	Calculated Property
η	0.0007739	Pa×s	419.64	Calculated Property
η	0.0006015	Pa×s	446.46	Calculated Property
η	0.0004811	Pa×s	473.29	Calculated Property
η	0.0003941	Pa×s	500.11	Calculated Property
η	0.0003294	Pa×s	526.94	Calculated Property
η	0.0002802	Pa×s	553.76	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanone, 2-bromo-1-phenyl-.

Sources

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

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