Chemical Properties of Benzyl 4-bromophenyl ketone

InChI

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

InChI Key

MOSIKPSTRPODHQ-UHFFFAOYSA-N

Formula

C14H11BrO

SMILES

O=C(Cc1ccccc1)c1ccc(Br)cc1

Molecular Weight¹

275.14

Other Names

• 4-Bromodesoxybenzoin
• Ethanone, 1-(4-bromophenyl)-2-phenyl-

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[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	[0.0022626; 0.0002019]	Pa×s	[384.15; 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.			384.15
Temperature range, max.			670.12
η	0.0022626	Pa×s	384.15	Calculated Property
η	0.0014680	Pa×s	415.92	Calculated Property
η	0.0010128	Pa×s	447.70	Calculated Property
η	0.0007340	Pa×s	479.47	Calculated Property
η	0.0005537	Pa×s	511.25	Calculated Property
η	0.0004316	Pa×s	543.02	Calculated Property
η	0.0003459	Pa×s	574.80	Calculated Property
η	0.0002837	Pa×s	606.57	Calculated Property
η	0.0002373	Pa×s	638.34	Calculated Property
η	0.0002019	Pa×s	670.12	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl 4-bromophenyl ketone.

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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