Chemical Properties of Ethanone, 1-(2-bromophenyl)- (CAS 2142-69-0)

InChI

InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

InChI Key

PIMNFNXBTGPCIL-UHFFFAOYSA-N

Formula

C8H7BrO

SMILES

CC(=O)c1ccccc1Br

Molecular Weight¹

199.04

CAS

2142-69-0

Other Names

• 1-(2-bromophenyl)ethanone
• 1-acetyl-2-bromobenzene
• 2'-bromoacetophenone
• 2-bromophenyl methyl ketone
• Acetophenone, 2'-bromo-
• Acetophenone, o-bromo-
• o-Bromoacetophenone
• o-Bromophenyl methyl 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).
• 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_boilr : Boiling point at reduced pressure (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

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.40; 308.58]	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			-8.44000e+00
Coefficient B			6.35620e-01
Coefficient C			-4.28260e-04
Coefficient D			1.09660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.40	J/mol×K	273.00	Calculated Property
Cp,gas	167.68	J/mol×K	353.78	Calculated Property
Cp,gas	195.90	J/mol×K	434.56	Calculated Property
Cp,gas	220.39	J/mol×K	515.33	Calculated Property
Cp,gas	241.51	J/mol×K	596.11	Calculated Property
Cp,gas	259.59	J/mol×K	676.89	Calculated Property
Cp,gas	275.00	J/mol×K	757.67	Calculated Property
Cp,gas	288.07	J/mol×K	838.44	Calculated Property
Cp,gas	299.14	J/mol×K	919.22	Calculated Property
Cp,gas	308.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020282; 0.0003068]	Pa×s	[328.59; 541.85]	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			-1.09995e+01
Coefficient B			1.57685e+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.			328.59
Temperature range, max.			541.85
η	0.0020282	Pa×s	328.59	Calculated Property
η	0.0014687	Pa×s	352.29	Calculated Property
η	0.0011077	Pa×s	375.98	Calculated Property
η	0.0008638	Pa×s	399.68	Calculated Property
η	0.0006927	Pa×s	423.37	Calculated Property
η	0.0005686	Pa×s	447.07	Calculated Property
η	0.0004761	Pa×s	470.76	Calculated Property
η	0.0004055	Pa×s	494.46	Calculated Property
η	0.0003505	Pa×s	518.16	Calculated Property
η	0.0003068	Pa×s	541.85	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(2-bromophenyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Calorimetric study of bromoacetophenone isomers
• Joback Method
• McGowan Method
• NIST Webbook

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