Chemical Properties of 2-BROMOISOBUTYROPHENONE

InChI

InChI=1S/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3

InChI Key

QMOSZSHTSOWPRX-UHFFFAOYSA-N

Formula

C10H11BrO

SMILES

CC(C)(Br)C(=O)c1ccccc1

Molecular Weight¹

227.10

Other Names

• «alpha»-Bromoisobutyrophenone
• 1-Propanone, 2-bromo-2-methyl-1-phenyl-
• Phenyl 2-bromo-2-propyl ketone

• 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	[173.81; 416.27]	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			-4.90300e+01
Coefficient B			1.01094e+00
Coefficient C			-7.75900e-04
Coefficient D			2.30260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.81	J/mol×K	273.00	Calculated Property
Cp,gas	221.70	J/mol×K	353.78	Calculated Property
Cp,gas	262.66	J/mol×K	434.56	Calculated Property
Cp,gas	297.40	J/mol×K	515.33	Calculated Property
Cp,gas	326.66	J/mol×K	596.11	Calculated Property
Cp,gas	351.18	J/mol×K	676.89	Calculated Property
Cp,gas	371.66	J/mol×K	757.67	Calculated Property
Cp,gas	388.86	J/mol×K	838.44	Calculated Property
Cp,gas	403.48	J/mol×K	919.22	Calculated Property
Cp,gas	416.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028456; 0.0002500]	Pa×s	[341.03; 571.45]	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			-1.18936e+01
Coefficient B			2.05697e+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.			341.03
Temperature range, max.			571.45
η	0.0028456	Pa×s	341.03	Calculated Property
η	0.0018675	Pa×s	366.63	Calculated Property
η	0.0012948	Pa×s	392.23	Calculated Property
η	0.0009390	Pa×s	417.84	Calculated Property
η	0.0007067	Pa×s	443.44	Calculated Property
η	0.0005486	Pa×s	469.04	Calculated Property
η	0.0004372	Pa×s	494.64	Calculated Property
η	0.0003563	Pa×s	520.25	Calculated Property
η	0.0002960	Pa×s	545.85	Calculated Property
η	0.0002500	Pa×s	571.45	Calculated Property

Similar Compounds

Find more compounds similar to 2-BROMOISOBUTYROPHENONE.

Sources

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

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