Chemical Properties of Alpha-p-bromo-benzohydryl-acetophenone

InChI

InChI=1S/C21H17BrO/c22-19-13-11-17(12-14-19)20(16-7-3-1-4-8-16)15-21(23)18-9-5-2-6-10-18/h1-14,20H,15H2

InChI Key

WTKRBWMQAHGKHB-UHFFFAOYSA-N

Formula

C21H17BrO

SMILES

O=C(CC(c1ccccc1)c1ccc(Br)cc1)c1ccccc1

Molecular Weight¹

365.27

• 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).
• 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 Pressure, 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	[296.35; 742.75]	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			-8.97490e+01
Coefficient B			1.71870e+00
Coefficient C			-1.20106e-03
Coefficient D			3.14860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.35	J/mol×K	273.00	Calculated Property
Cp,gas	381.91	J/mol×K	353.78	Calculated Property
Cp,gas	456.15	J/mol×K	434.56	Calculated Property
Cp,gas	520.08	J/mol×K	515.33	Calculated Property
Cp,gas	574.69	J/mol×K	596.11	Calculated Property
Cp,gas	620.97	J/mol×K	676.89	Calculated Property
Cp,gas	659.92	J/mol×K	757.67	Calculated Property
Cp,gas	692.54	J/mol×K	838.44	Calculated Property
Cp,gas	719.82	J/mol×K	919.22	Calculated Property
Cp,gas	742.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007342; 0.0000929]	Pa×s	[512.94; 807.75]	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			-1.28814e+01
Coefficient B			2.90559e+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.			512.94
Temperature range, max.			807.75
η	0.0007342	Pa×s	512.94	Calculated Property
η	0.0005225	Pa×s	545.70	Calculated Property
η	0.0003865	Pa×s	578.45	Calculated Property
η	0.0002953	Pa×s	611.21	Calculated Property
η	0.0002319	Pa×s	643.97	Calculated Property
η	0.0001864	Pa×s	676.72	Calculated Property
η	0.0001529	Pa×s	709.48	Calculated Property
η	0.0001276	Pa×s	742.24	Calculated Property
η	0.0001081	Pa×s	774.99	Calculated Property
η	0.0000929	Pa×s	807.75	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-p-bromo-benzohydryl-acetophenone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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