Chemical Properties of Dibenzoylacetic acid, ethyl ester (CAS 4850-82-2)

InChI

InChI=1S/C18H16O4/c1-2-22-18(21)15(16(19)13-9-5-3-6-10-13)17(20)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3

InChI Key

JHWPTSCKSATEQK-UHFFFAOYSA-N

Formula

C18H16O4

SMILES

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

Molecular Weight¹

296.32

CAS

4850-82-2

Other Names

• ethyl 2-benzoyl-3-oxo-3-phenylpropionate

• 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	[290.69; 697.60]	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			-4.28390e+01
Coefficient B			1.45112e+00
Coefficient C			-8.89000e-04
Coefficient D			1.78320e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.69	J/mol×K	273.00	Calculated Property
Cp,gas	367.16	J/mol×K	353.78	Calculated Property
Cp,gas	434.51	J/mol×K	434.56	Calculated Property
Cp,gas	493.29	J/mol×K	515.33	Calculated Property
Cp,gas	544.06	J/mol×K	596.11	Calculated Property
Cp,gas	587.39	J/mol×K	676.89	Calculated Property
Cp,gas	623.85	J/mol×K	757.67	Calculated Property
Cp,gas	653.99	J/mol×K	838.44	Calculated Property
Cp,gas	678.39	J/mol×K	919.22	Calculated Property
Cp,gas	697.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011441; 0.0001115]	Pa×s	[472.65; 747.61]	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			-1.31036e+01
Coefficient B			2.99208e+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.			472.65
Temperature range, max.			747.61
η	0.0011441	Pa×s	472.65	Calculated Property
η	0.0007790	Pa×s	503.20	Calculated Property
η	0.0005543	Pa×s	533.75	Calculated Property
η	0.0004092	Pa×s	564.30	Calculated Property
η	0.0003117	Pa×s	594.85	Calculated Property
η	0.0002438	Pa×s	625.41	Calculated Property
η	0.0001951	Pa×s	655.96	Calculated Property
η	0.0001592	Pa×s	686.51	Calculated Property
η	0.0001322	Pa×s	717.06	Calculated Property
η	0.0001115	Pa×s	747.61	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzoylacetic acid, ethyl ester.

Sources

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

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