Chemical Properties of Dimethylmalonic acid, di(2-ethylphenyl) ester

InChI

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

InChI Key

ZQNPYCFHSBNJAL-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

CCc1ccccc1OC(=O)C(C)(C)C(=O)Oc1ccccc1CC

Molecular Weight¹

340.41

• 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).
• 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 Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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 Dimethylmalonic acid, di(2-ethylphenyl) ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.