Chemical Properties of Dibenzoylmethane (CAS 120-46-7)

InChI

InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2

InChI Key

NZZIMKJIVMHWJC-UHFFFAOYSA-N

Formula

C15H12O2

SMILES

O=C(CC(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

224.25

CAS

120-46-7

Other Names

• 1,3-Diphenylpropane-1,3-dione
• 1,3-Propanedione, 1,3-diphenyl-
• 1,3-diphenyl-1,3-propanedione
• 2-Benzoylacetophenone
• Karenzu DK 2
• NSC 6266
• Phenyl phenacyl ketone
• Rhodiastab 83
• omega-Benzoylacetophenone
• «omega»-Benzoylacetophenone

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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	0.5671		Relay (1.0) Calculated Property
ΔcH°solid	[-7410.00; -7386.00]	kJ/mol
ΔcH°solid	-7393.00 ± 2.00	kJ/mol	NIST
ΔcH°solid	-7386.00 ± 4.60	kJ/mol	NIST
ΔcH°solid	-7395.00 ± 3.00	kJ/mol	NIST
ΔcH°solid	-7410.00	kJ/mol	NIST
ΔfG°	42.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-109.20 ± 2.00	kJ/mol	NIST
ΔfH°solid	[-241.00; -222.30]	kJ/mol
ΔfH°solid	-228.00 ± 12.00	kJ/mol	NIST
ΔfH°solid	-222.30	kJ/mol	NIST
ΔfH°solid	-241.00	kJ/mol	NIST
ΔfusH°	25.89	kJ/mol	Joback Calculated Property
ΔsubH°	[50.20; 115.70]	kJ/mol
ΔsubH°	113.30 ± 4.80	kJ/mol	NIST
ΔsubH°	115.70 ± 0.90	kJ/mol	NIST
ΔsubH°	115.70 ± 0.90	kJ/mol	NIST
ΔsubH°	50.20	kJ/mol	NIST
ΔvapH°	88.90	kJ/mol	Relay (1.0) Calculated Property
IE	[8.30; 8.45]	eV
IE	8.30	eV	NIST
IE	8.45 ± 0.05	eV	NIST
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	3.142		Crippen Calculated Property
McVol	177.830	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Tboil	607.37	K	Relay (1.0) Calculated Property
Tc	888.48	K	Relay (1.0) Calculated Property
Tfus	351.00 ± 3.00	K	NIST
Vc	0.651	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[60.10; 113.30]	kJ/mol	[298.15; 375.50]
ΔvapH	113.30	kJ/mol	298.15	Standard molar enthalpy of formation of monothiodibenzoylmethane by rotating-bomb calorimetry
ΔvapH	60.10	kJ/mol	375.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.02; 534.18]	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			-6.38390e+01
Coefficient B			1.21500e+00
Coefficient C			-8.17200e-04
Coefficient D			2.00220e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.02	J/mol×K	273.00	Calculated Property
Cp,gas	272.59	J/mol×K	353.78	Calculated Property
Cp,gas	326.26	J/mol×K	434.56	Calculated Property
Cp,gas	372.67	J/mol×K	515.33	Calculated Property
Cp,gas	412.46	J/mol×K	596.11	Calculated Property
Cp,gas	446.25	J/mol×K	676.89	Calculated Property
Cp,gas	474.69	J/mol×K	757.67	Calculated Property
Cp,gas	498.40	J/mol×K	838.44	Calculated Property
Cp,gas	518.02	J/mol×K	919.22	Calculated Property
Cp,gas	534.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045958; 0.0002125]	Pa×s	[351.00; 665.78]	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			-1.18842e+01
Coefficient B			2.28206e+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.			351.00
Temperature range, max.			665.78
η	0.0045958	Pa×s	351.00	Calculated Property
η	0.0025498	Pa×s	385.98	Calculated Property
η	0.0015601	Pa×s	420.95	Calculated Property
η	0.0010293	Pa×s	455.93	Calculated Property
η	0.0007205	Pa×s	490.90	Calculated Property
η	0.0005289	Pa×s	525.88	Calculated Property
η	0.0004035	Pa×s	560.85	Calculated Property
η	0.0003178	Pa×s	595.83	Calculated Property
η	0.0002570	Pa×s	630.81	Calculated Property
η	0.0002125	Pa×s	665.78	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzoylmethane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Standard molar enthalpy of formation of monothiodibenzoylmethane by rotating-bomb calorimetry
• Joback Method
• McGowan Method
• NIST Webbook

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