Chemical Properties of 3-bromobenzophenone (CAS 1016-77-9)

InChI

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

InChI Key

XNUMUNIJQMSNNN-UHFFFAOYSA-N

Formula

C13H9BrO

SMILES

O=C(c1ccccc1)c1cccc(Br)c1

Molecular Weight¹

261.11

CAS

1016-77-9

• 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).
• 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

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	[0.0034698; 0.0002145]	Pa×s	[350.15; 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
Temperature range, min.			350.15
Temperature range, max.			658.57
η	0.0034698	Pa×s	350.15	Calculated Property
η	0.0020427	Pa×s	384.42	Calculated Property
η	0.0013115	Pa×s	418.69	Calculated Property
η	0.0009004	Pa×s	452.96	Calculated Property
η	0.0006518	Pa×s	487.23	Calculated Property
η	0.0004923	Pa×s	521.50	Calculated Property
η	0.0003849	Pa×s	555.77	Calculated Property
η	0.0003097	Pa×s	590.03	Calculated Property
η	0.0002552	Pa×s	624.30	Calculated Property
η	0.0002145	Pa×s	658.57	Calculated Property

Similar Compounds

Find more compounds similar to 3-bromobenzophenone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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