Chemical Properties of Dimethylmalonic acid, ethyl isobutyl ester

InChI

InChI=1S/C11H20O4/c1-6-14-9(12)11(4,5)10(13)15-7-8(2)3/h8H,6-7H2,1-5H3

InChI Key

PDJZBTJFISLLLN-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

CCOC(=O)C(C)(C)C(=O)OCC(C)C

Molecular Weight¹

216.27

• 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	[269.73; 605.05]	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			1.75520e+01
Coefficient B			1.07100e+00
Coefficient C			-5.60400e-04
Coefficient D			7.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.73	J/mol×K	273.00	Calculated Property
Cp,gas	329.71	J/mol×K	353.78	Calculated Property
Cp,gas	383.45	J/mol×K	434.56	Calculated Property
Cp,gas	431.17	J/mol×K	515.33	Calculated Property
Cp,gas	473.14	J/mol×K	596.11	Calculated Property
Cp,gas	509.59	J/mol×K	676.89	Calculated Property
Cp,gas	540.76	J/mol×K	757.67	Calculated Property
Cp,gas	566.90	J/mol×K	838.44	Calculated Property
Cp,gas	588.25	J/mol×K	919.22	Calculated Property
Cp,gas	605.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0078656; 0.0001702]	Pa×s	[285.81; 525.16]	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			-1.32564e+01
Coefficient B			2.40400e+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.			285.81
Temperature range, max.			525.16
η	0.0078656	Pa×s	285.81	Calculated Property
η	0.0038438	Pa×s	312.40	Calculated Property
η	0.0021017	Pa×s	339.00	Calculated Property
η	0.0012547	Pa×s	365.59	Calculated Property
η	0.0008033	Pa×s	392.19	Calculated Property
η	0.0005443	Pa×s	418.78	Calculated Property
η	0.0003863	Pa×s	445.38	Calculated Property
η	0.0002850	Pa×s	471.97	Calculated Property
η	0.0002172	Pa×s	498.57	Calculated Property
η	0.0001702	Pa×s	525.16	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, ethyl isobutyl ester.

Sources

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

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