Chemical Properties of Diethylmalonic acid, di(2,3-dimethylphenyl) ester

InChI

InChI=1S/C23H28O4/c1-7-23(8-2,21(24)26-19-13-9-11-15(3)17(19)5)22(25)27-20-14-10-12-16(4)18(20)6/h9-14H,7-8H2,1-6H3

InChI Key

VBXFQEIRCVQQJJ-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CCC(CC)(C(=O)Oc1cccc(C)c1C)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

368.47

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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	[420.30; 974.39]	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			-2.28800e+00
Coefficient B			1.80932e+00
Coefficient C			-1.00424e-03
Coefficient D			1.71600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.30	J/mol×K	273.00	Calculated Property
Cp,gas	519.72	J/mol×K	353.78	Calculated Property
Cp,gas	608.40	J/mol×K	434.56	Calculated Property
Cp,gas	686.90	J/mol×K	515.33	Calculated Property
Cp,gas	755.76	J/mol×K	596.11	Calculated Property
Cp,gas	815.52	J/mol×K	676.89	Calculated Property
Cp,gas	866.72	J/mol×K	757.67	Calculated Property
Cp,gas	909.90	J/mol×K	838.44	Calculated Property
Cp,gas	945.61	J/mol×K	919.22	Calculated Property
Cp,gas	974.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002918; 0.0000389]	Pa×s	[538.97; 796.42]	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			-1.43696e+01
Coefficient B			3.35790e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			538.97
Temperature range, max.			796.42
η	0.0002918	Pa×s	538.97	Calculated Property
η	0.0002132	Pa×s	567.58	Calculated Property
η	0.0001605	Pa×s	596.18	Calculated Property
η	0.0001240	Pa×s	624.79	Calculated Property
η	0.0000980	Pa×s	653.39	Calculated Property
η	0.0000790	Pa×s	682.00	Calculated Property
η	0.0000648	Pa×s	710.61	Calculated Property
η	0.0000540	Pa×s	739.21	Calculated Property
η	0.0000456	Pa×s	767.82	Calculated Property
η	0.0000389	Pa×s	796.42	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2,3-dimethylphenyl) ester.

Sources

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

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