Chemical Properties of Diethylmalonic acid, di(3-methylphenyl) ester

InChI

InChI=1S/C21H24O4/c1-5-21(6-2,19(22)24-17-11-7-9-15(3)13-17)20(23)25-18-12-8-10-16(4)14-18/h7-14H,5-6H2,1-4H3

InChI Key

FPJSUZWYBWETBJ-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

CCC(CC)(C(=O)Oc1cccc(C)c1)C(=O)Oc1cccc(C)c1

Molecular Weight¹

340.41

• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[372.77; 877.29]	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			-2.90680e+01
Coefficient B			1.73828e+00
Coefficient C			-1.02952e-03
Coefficient D			1.97600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.77	J/mol×K	273.00	Calculated Property
Cp,gas	465.79	J/mol×K	353.78	Calculated Property
Cp,gas	548.11	J/mol×K	434.56	Calculated Property
Cp,gas	620.36	J/mol×K	515.33	Calculated Property
Cp,gas	683.16	J/mol×K	596.11	Calculated Property
Cp,gas	737.13	J/mol×K	676.89	Calculated Property
Cp,gas	782.91	J/mol×K	757.67	Calculated Property
Cp,gas	821.11	J/mol×K	838.44	Calculated Property
Cp,gas	852.36	J/mol×K	919.22	Calculated Property
Cp,gas	877.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005106; 0.0000489]	Pa×s	[491.39; 758.67]	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			-1.42388e+01
Coefficient B			3.27210e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			491.39
Temperature range, max.			758.67
η	0.0005106	Pa×s	491.39	Calculated Property
η	0.0003493	Pa×s	521.09	Calculated Property
η	0.0002490	Pa×s	550.79	Calculated Property
η	0.0001837	Pa×s	580.48	Calculated Property
η	0.0001397	Pa×s	610.18	Calculated Property
η	0.0001089	Pa×s	639.88	Calculated Property
η	0.0000868	Pa×s	669.58	Calculated Property
η	0.0000705	Pa×s	699.27	Calculated Property
η	0.0000583	Pa×s	728.97	Calculated Property
η	0.0000489	Pa×s	758.67	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(3-methylphenyl) 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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