Chemical Properties of Ethanone, 1-[1,1'-biphenyl]-4-yl-2-bromo- (CAS 135-73-9)

InChI

InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

KGHGZRVXCKCJGX-UHFFFAOYSA-N

Formula

C14H11BrO

SMILES

O=C(CBr)c1ccc(-c2ccccc2)cc1

Molecular Weight¹

275.14

CAS

135-73-9

Other Names

• 1-Biphenyl-4-yl-2-bromoethanone
• 2-Bromo-4'-phenylacetophenone
• 4-Phenylphenacyl bromide
• Acetophenone, 2-bromo-4'-phenyl-
• Acetophenone, alpha-bromo-p-phenyl-
• Bromomethyl p-biphenylyl ketone
• NSC 37117
• biphenyl-4-yl bromomethyl ketone
• p-Bromoacetylbiphenyl
• p-Phenyl-«alpha»-bromoacetophenone
• p-Phenylphenacyl bromide
• «alpha»-Bromo-4-phenylacetophenone
• «alpha»-Bromo-p-phenylacetophenone
• «omega»-Bromo-4-phenylacetophenone

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.42; 499.60]	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			-4.77990e+01
Coefficient B			1.12670e+00
Coefficient C			-7.85860e-04
Coefficient D			2.06560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.42	J/mol×K	273.00	Calculated Property
Cp,gas	261.59	J/mol×K	353.78	Calculated Property
Cp,gas	310.36	J/mol×K	434.56	Calculated Property
Cp,gas	352.40	J/mol×K	515.33	Calculated Property
Cp,gas	388.34	J/mol×K	596.11	Calculated Property
Cp,gas	418.85	J/mol×K	676.89	Calculated Property
Cp,gas	444.58	J/mol×K	757.67	Calculated Property
Cp,gas	466.18	J/mol×K	838.44	Calculated Property
Cp,gas	484.30	J/mol×K	919.22	Calculated Property
Cp,gas	499.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018541; 0.0002019]	Pa×s	[398.15; 670.12]	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			-1.17537e+01
Coefficient B			2.17523e+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.			398.15
Temperature range, max.			670.12
η	0.0018541	Pa×s	398.15	Calculated Property
η	0.0012611	Pa×s	428.37	Calculated Property
η	0.0009025	Pa×s	458.59	Calculated Property
η	0.0006731	Pa×s	488.81	Calculated Property
η	0.0005195	Pa×s	519.03	Calculated Property
η	0.0004125	Pa×s	549.24	Calculated Property
η	0.0003355	Pa×s	579.46	Calculated Property
η	0.0002786	Pa×s	609.68	Calculated Property
η	0.0002354	Pa×s	639.90	Calculated Property
η	0.0002019	Pa×s	670.12	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-[1,1'-biphenyl]-4-yl-2-bromo-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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