Chemical Properties of Ethanedione, diphenyl- (CAS 134-81-6)

InChI

InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H

InChI Key

WURBFLDFSFBTLW-UHFFFAOYSA-N

Formula

C14H10O2

SMILES

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

Molecular Weight¹

210.23

CAS

134-81-6

Other Names

• 1,2-Diphenylethane-1,2-dione
• 1,2-Diphenylethanedione
• 1,2-Ethanedione, 1,2-diphenyl-
• Benzil
• Bibenzoyl
• Dibenzoyl
• Diphenyl-«alpha»,«beta»-diketone
• Diphenyl-«alpha»,«beta»-diketone
• Diphenylethanedione
• Diphenylglyoxal
• Glyoxal, diphenyl-
• NSC 220315
• Wy 20910

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5598		Relay (1.0) Calculated Property
ΔcH°solid	[-6828.70; -6760.00]	kJ/mol
ΔcH°solid	-6784.00 ± 3.00	kJ/mol	NIST
ΔcH°solid	-6760.00 ± 3.00	kJ/mol	NIST
ΔcH°solid	-6784.80	kJ/mol	NIST
ΔcH°solid	-6828.70	kJ/mol	NIST
ΔfG°	33.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-55.14	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-179.00; 138.00]	kJ/mol
ΔfH°solid	-154.00	kJ/mol	NIST
ΔfH°solid	-179.00	kJ/mol	NIST
ΔfH°solid	138.00	kJ/mol	NIST
ΔfusH°	23.30	kJ/mol	Joback Calculated Property
ΔsubH°	87.40	kJ/mol	NIST
ΔvapH°	84.17	kJ/mol	Relay (1.0) Calculated Property
IE	[8.68; 9.10]	eV
IE	8.68 ± 0.05	eV	NIST
IE	8.72	eV	NIST
IE	8.86 ± 0.15	eV	NIST
IE	8.78 ± 0.05	eV	NIST
IE	8.90 ± 0.05	eV	NIST
IE	9.10	eV	NIST
log10WS	-3.08		Aq. Solubility Prediction
logPoct/wat	2.752		Crippen Calculated Property
McVol	163.740	ml/mol	McGowan Calculated Property
Pc	3177.55	kPa	Joback Calculated Property
Inp	1768.00		NIST
S°gas	480.18	J/mol×K	NIST
S°solid,1 bar	292.08	J/mol×K	NIST
Tboil	620.00 ± 1.00	K	NIST
Tc	869.69	K	Relay (1.0) Calculated Property
Tfus	[367.00; 369.30]	K
Tfus	368.01	K	Aq. Solubility Prediction
Tfus	368.50	K	Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
Tfus	368.00	K	The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters
Tfus	Outlier 369.30 ± 0.60	K	NIST
Tfus	368.15 ± 1.00	K	NIST
Tfus	368.25 ± 0.20	K	NIST
Tfus	368.00	K	NIST
Tfus	368.05 ± 0.20	K	NIST
Tfus	Outlier 367.00 ± 1.00	K	NIST
Tfus	368.00 ± 2.00	K	NIST
Tfus	368.25 ± 1.00	K	NIST
Tfus	368.15 ± 2.00	K	NIST
Ttriple	[368.00; 368.02]	K
Ttriple	368.02 ± 0.01	K	NIST
Ttriple	368.00 ± 0.00	K	NIST
Vc	0.609	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[405.45; 471.08]	J/mol×K	[680.82; 933.59]
Cp,gas	405.45	J/mol×K	680.82	Joback Calculated Property
Cp,gas	419.25	J/mol×K	722.95	Joback Calculated Property
Cp,gas	431.79	J/mol×K	765.08	Joback Calculated Property
Cp,gas	443.16	J/mol×K	807.21	Joback Calculated Property
Cp,gas	453.44	J/mol×K	849.33	Joback Calculated Property
Cp,gas	462.72	J/mol×K	891.46	Joback Calculated Property
Cp,gas	471.08	J/mol×K	933.59	Joback Calculated Property
Cp,solid	245.70	J/mol×K	298.15	NIST
η	[0.0001962; 0.0018672]	Pa×s	[400.24; 680.82]
η	0.0018672	Pa×s	400.24	Joback Calculated Property
η	0.0010540	Pa×s	447.00	Joback Calculated Property
η	0.0006630	Pa×s	493.77	Joback Calculated Property
η	0.0004519	Pa×s	540.53	Joback Calculated Property
η	0.0003274	Pa×s	587.29	Joback Calculated Property
η	0.0002487	Pa×s	634.06	Joback Calculated Property
η	0.0001962	Pa×s	680.82	Joback Calculated Property
ΔfusH	[0.04; 23.80]	kJ/mol	[84.00; 369.20]
ΔfusH	0.04	kJ/mol	84.00	NIST
ΔfusH	23.56	kJ/mol	368.00	NIST
ΔfusH	23.56	kJ/mol	368.00	NIST
ΔfusH	22.69	kJ/mol	368.05	NIST
ΔfusH	22.88	kJ/mol	368.10	NIST
ΔfusH	23.80	kJ/mol	369.20	NIST
ΔsubH	[82.80; 98.40]	kJ/mol	[311.00; 368.50]
ΔsubH	82.80 ± 0.80	kJ/mol	311.00	NIST
ΔsubH	98.40 ± 1.10	kJ/mol	329.50	NIST
ΔsubH	98.40 ± 1.10	kJ/mol	368.50	NIST
ΔvapH	69.20	kJ/mol	510.50	NIST
ΔfusS	[0.50; 64.02]	J/mol×K	[84.00; 368.05]
ΔfusS	0.50	J/mol×K	84.00	NIST
ΔfusS	64.02	J/mol×K	368.00	NIST
ΔfusS	61.65	J/mol×K	368.05	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[456.25; 658.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56292e+01
Coefficient B			-6.38708e+03
Coefficient C			-3.99290e+01
Temperature range, min.			456.25
Temperature range, max.			658.97
Pvap	1.33	kPa	456.25	Calculated Property
Pvap	2.93	kPa	478.77	Calculated Property
Pvap	5.96	kPa	501.30	Calculated Property
Pvap	11.36	kPa	523.82	Calculated Property
Pvap	20.43	kPa	546.35	Calculated Property
Pvap	34.95	kPa	568.87	Calculated Property
Pvap	57.24	kPa	591.40	Calculated Property
Pvap	90.17	kPa	613.92	Calculated Property
Pvap	137.26	kPa	636.45	Calculated Property
Pvap	202.65	kPa	658.97	Calculated Property

Similar Compounds

Find more compounds similar to Ethanedione, diphenyl-.

Mixtures

• Acetic acid, pentyl ester + Ethanedione, diphenyl-
• Ethanedione, diphenyl- + Acetic acid, methyl ester
• Acetonitrile + Ethanedione, diphenyl-
• Ethanedione, diphenyl- + Acetone

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
• The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters
• Solubilities of Three Flavonoids in Different Natural Deep Eutectic Solvents at T = (288.15 to 328.15) K
• Measurement and Correlation of Solubility of Theobromine, Theophylline, and Caffeine in Water and Organic Solvents at Various Temperatures
• Solid-Liquid Equilibrium of Rebaudioside A in Pure and Binary Mixed Solvents at T = (288.15 to 328.15) K
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.