Chemical Properties of Methanone, (4-bromophenyl)phenyl- (CAS 90-90-4)

InChI

InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H

InChI Key

KEOLYBMGRQYQTN-UHFFFAOYSA-N

Formula

C13H9BrO

SMILES

O=C(c1ccccc1)c1ccc(Br)cc1

Molecular Weight¹

261.11

CAS

90-90-4

Other Names

• 4-Bromobenzophenone
• Benzophenone, 4-bromo-
• USAF do-3
• p-Bromobenzophenone

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5154		Relay (1.0) Calculated Property
ΔfG°	159.17	kJ/mol	Joback Calculated Property
ΔfH°gas	59.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.00	kJ/mol	Joback Calculated Property
ΔvapH°	95.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	3.680		Crippen Calculated Property
McVol	165.580	ml/mol	McGowan Calculated Property
Pc	3513.74	kPa	Joback Calculated Property
Inp	[1841.00; 1841.00]
Inp	1841.00		NIST
Inp	1841.00		NIST
Tboil	[623.00; 623.20]	K
Tboil	623.20	K	NIST
Tboil	623.00	K	NIST
Tc	873.98	K	Relay (1.0) Calculated Property
Tfus	[355.15; 355.60]	K
Tfus	355.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	355.60	K	NIST
Vc	0.590	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.21; 448.01]	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			-4.68900e+01
Coefficient B			1.03170e+00
Coefficient C			-7.31460e-04
Coefficient D			1.94660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.21	J/mol×K	273.00	Calculated Property
Cp,gas	235.17	J/mol×K	353.78	Calculated Property
Cp,gas	279.29	J/mol×K	434.56	Calculated Property
Cp,gas	317.17	J/mol×K	515.33	Calculated Property
Cp,gas	349.43	J/mol×K	596.11	Calculated Property
Cp,gas	376.69	J/mol×K	676.89	Calculated Property
Cp,gas	399.56	J/mol×K	757.67	Calculated Property
Cp,gas	418.66	J/mol×K	838.44	Calculated Property
Cp,gas	434.61	J/mol×K	919.22	Calculated Property
Cp,gas	448.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031795; 0.0002145]	Pa×s	[355.38; 658.57]	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			-1.16070e+01
Coefficient B			2.08107e+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.			355.38
Temperature range, max.			658.57
η	0.0031795	Pa×s	355.38	Calculated Property
η	0.0019149	Pa×s	389.06	Calculated Property
η	0.0012503	Pa×s	422.75	Calculated Property
η	0.0008694	Pa×s	456.44	Calculated Property
η	0.0006355	Pa×s	490.13	Calculated Property
η	0.0004837	Pa×s	523.82	Calculated Property
η	0.0003804	Pa×s	557.51	Calculated Property
η	0.0003075	Pa×s	591.20	Calculated Property
η	0.0002544	Pa×s	624.88	Calculated Property
η	0.0002145	Pa×s	658.57	Calculated Property

Similar Compounds

Find more compounds similar to Methanone, (4-bromophenyl)phenyl-.

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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