Chemical Properties of Diethylmalonic acid, diphenethyl ester

InChI

InChI=1S/C23H28O4/c1-3-23(4-2,21(24)26-17-15-19-11-7-5-8-12-19)22(25)27-18-16-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3

InChI Key

YWCMSYJIHQOLSO-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CCC(CC)(C(=O)OCCc1ccccc1)C(=O)OCCc1ccccc1

Molecular Weight¹

368.47

• 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).
• I_np : Non-polar retention indices.
• 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	[410.10; 986.56]	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			-5.94840e+01
Coefficient B			2.04724e+00
Coefficient C			-1.27240e-03
Coefficient D			2.71200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	410.10	J/mol×K	273.00	Calculated Property
Cp,gas	517.54	J/mol×K	353.78	Calculated Property
Cp,gas	612.13	J/mol×K	434.56	Calculated Property
Cp,gas	694.73	J/mol×K	515.33	Calculated Property
Cp,gas	766.20	J/mol×K	596.11	Calculated Property
Cp,gas	827.39	J/mol×K	676.89	Calculated Property
Cp,gas	879.17	J/mol×K	757.67	Calculated Property
Cp,gas	922.38	J/mol×K	838.44	Calculated Property
Cp,gas	957.89	J/mol×K	919.22	Calculated Property
Cp,gas	986.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005769; 0.0000379]	Pa×s	[488.89; 780.30]	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			-1.47456e+01
Coefficient B			3.56294e+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.			488.89
Temperature range, max.			780.30
η	0.0005769	Pa×s	488.89	Calculated Property
η	0.0003669	Pa×s	521.27	Calculated Property
η	0.0002460	Pa×s	553.65	Calculated Property
η	0.0001724	Pa×s	586.03	Calculated Property
η	0.0001254	Pa×s	618.40	Calculated Property
η	0.0000941	Pa×s	650.78	Calculated Property
η	0.0000726	Pa×s	683.16	Calculated Property
η	0.0000574	Pa×s	715.54	Calculated Property
η	0.0000462	Pa×s	747.92	Calculated Property
η	0.0000379	Pa×s	780.30	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, diphenethyl ester.

Sources

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

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