Chemical Properties of Diethylmalonic acid, 4-biphenyl isobutyl ester

InChI

InChI=1S/C23H28O4/c1-5-23(6-2,21(24)26-16-17(3)4)22(25)27-20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-15,17H,5-6,16H2,1-4H3

InChI Key

QOLDFIOUOAPFKA-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

368.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[412.34; 984.05]	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			-4.68670e+01
Coefficient B			1.99368e+00
Coefficient C			-1.20856e-03
Coefficient D			2.45800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.34	J/mol×K	273.00	Calculated Property
Cp,gas	518.07	J/mol×K	353.78	Calculated Property
Cp,gas	611.45	J/mol×K	434.56	Calculated Property
Cp,gas	693.23	J/mol×K	515.33	Calculated Property
Cp,gas	764.19	J/mol×K	596.11	Calculated Property
Cp,gas	825.13	J/mol×K	676.89	Calculated Property
Cp,gas	876.80	J/mol×K	757.67	Calculated Property
Cp,gas	920.00	J/mol×K	838.44	Calculated Property
Cp,gas	955.49	J/mol×K	919.22	Calculated Property
Cp,gas	984.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005596; 0.0000347]	Pa×s	[486.41; 785.80]	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			-1.47856e+01
Coefficient B			3.54950e+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.			486.41
Temperature range, max.			785.80
η	0.0005596	Pa×s	486.41	Calculated Property
η	0.0003508	Pa×s	519.68	Calculated Property
η	0.0002326	Pa×s	552.94	Calculated Property
η	0.0001616	Pa×s	586.21	Calculated Property
η	0.0001167	Pa×s	619.47	Calculated Property
η	0.0000872	Pa×s	652.74	Calculated Property
η	0.0000670	Pa×s	686.01	Calculated Property
η	0.0000527	Pa×s	719.27	Calculated Property
η	0.0000424	Pa×s	752.54	Calculated Property
η	0.0000347	Pa×s	785.80	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-biphenyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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