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	[350.65; 351.00]	K
Tfus	350.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
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	[0.0046108; 0.0002125]	Pa×s	[350.82; 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.			350.82
Temperature range, max.			665.78
η	0.0046108	Pa×s	350.82	Calculated Property
η	0.0025558	Pa×s	385.82	Calculated Property
η	0.0015628	Pa×s	420.82	Calculated Property
η	0.0010306	Pa×s	455.81	Calculated Property
η	0.0007212	Pa×s	490.81	Calculated Property
η	0.0005293	Pa×s	525.80	Calculated Property
η	0.0004037	Pa×s	560.80	Calculated Property
η	0.0003179	Pa×s	595.79	Calculated Property
η	0.0002570	Pa×s	630.79	Calculated Property
η	0.0002125	Pa×s	665.78	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzoylmethane.

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
• Standard molar enthalpy of formation of monothiodibenzoylmethane by rotating-bomb calorimetry
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.