Chemical Properties of Ethyl-a,a-dibenzylacetoacetate (CAS 42597-26-2)

InChI

InChI=1S/C20H22O3/c1-3-23-19(22)20(16(2)21,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3

InChI Key

GAEGCFQREIOAKQ-UHFFFAOYSA-N

Formula

C20H22O3

SMILES

CCOC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(C)=O

Molecular Weight¹

310.39

CAS

42597-26-2

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.05; 812.69]	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			-7.48070e+01
Coefficient B			1.78904e+00
Coefficient C			-1.18510e-03
Coefficient D			2.83560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.05	J/mol×K	273.00	Calculated Property
Cp,gas	422.35	J/mol×K	353.78	Calculated Property
Cp,gas	502.11	J/mol×K	434.56	Calculated Property
Cp,gas	571.23	J/mol×K	515.33	Calculated Property
Cp,gas	630.60	J/mol×K	596.11	Calculated Property
Cp,gas	681.13	J/mol×K	676.89	Calculated Property
Cp,gas	723.70	J/mol×K	757.67	Calculated Property
Cp,gas	759.23	J/mol×K	838.44	Calculated Property
Cp,gas	788.59	J/mol×K	919.22	Calculated Property
Cp,gas	812.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009836; 0.0000792]	Pa×s	[462.68; 736.23]	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			-1.37042e+01
Coefficient B			3.13693e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			462.68
Temperature range, max.			736.23
η	0.0009836	Pa×s	462.68	Calculated Property
η	0.0006476	Pa×s	493.07	Calculated Property
η	0.0004476	Pa×s	523.47	Calculated Property
η	0.0003222	Pa×s	553.86	Calculated Property
η	0.0002399	Pa×s	584.26	Calculated Property
η	0.0001840	Pa×s	614.65	Calculated Property
η	0.0001447	Pa×s	645.05	Calculated Property
η	0.0001162	Pa×s	675.44	Calculated Property
η	0.0000952	Pa×s	705.84	Calculated Property
η	0.0000792	Pa×s	736.23	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl-a,a-dibenzylacetoacetate.

Sources

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

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