Chemical Properties of Beta-phenyl, beta-1-naphthyl p-bromopropiophenone

InChI

InChI=1S/C25H19BrO/c26-21-15-13-20(14-16-21)25(27)17-24(19-7-2-1-3-8-19)23-12-6-10-18-9-4-5-11-22(18)23/h1-16,24H,17H2

InChI Key

DZSMNBIDMCHTGR-UHFFFAOYSA-N

Formula

C25H19BrO

SMILES

O=C(CC(c1ccccc1)c1cccc2ccccc12)c1ccc(Br)cc1

Molecular Weight¹

415.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[342.76; 855.29]	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			-1.10529e+02
Coefficient B			2.03550e+00
Coefficient C			-1.48834e-03
Coefficient D			4.18660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.76	J/mol×K	273.00	Calculated Property
Cp,gas	441.84	J/mol×K	353.78	Calculated Property
Cp,gas	527.31	J/mol×K	434.56	Calculated Property
Cp,gas	600.47	J/mol×K	515.33	Calculated Property
Cp,gas	662.66	J/mol×K	596.11	Calculated Property
Cp,gas	715.19	J/mol×K	676.89	Calculated Property
Cp,gas	759.40	J/mol×K	757.67	Calculated Property
Cp,gas	796.60	J/mol×K	838.44	Calculated Property
Cp,gas	828.13	J/mol×K	919.22	Calculated Property
Cp,gas	855.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005698; 0.0001180]	Pa×s	[603.24; 892.10]	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			-1.23329e+01
Coefficient B			2.93341e+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.			603.24
Temperature range, max.			892.10
η	0.0005698	Pa×s	603.24	Calculated Property
η	0.0004457	Pa×s	635.34	Calculated Property
η	0.0003570	Pa×s	667.43	Calculated Property
η	0.0002918	Pa×s	699.53	Calculated Property
η	0.0002428	Pa×s	731.62	Calculated Property
η	0.0002051	Pa×s	763.72	Calculated Property
η	0.0001757	Pa×s	795.81	Calculated Property
η	0.0001523	Pa×s	827.91	Calculated Property
η	0.0001334	Pa×s	860.00	Calculated Property
η	0.0001180	Pa×s	892.10	Calculated Property

Similar Compounds

Find more compounds similar to Beta-phenyl, beta-1-naphthyl p-bromopropiophenone.

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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