Chemical Properties of Diethylmalonic acid, isobutyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C19H36O4/c1-9-19(10-2,16(20)22-12-14(3)4)17(21)23-13-15(5)11-18(6,7)8/h14-15H,9-13H2,1-8H3

InChI Key

SPMNKTXYOIMISB-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

328.49

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

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[437.67; 1019.79]	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			-1.58750e+01
Coefficient B			1.96276e+00
Coefficient C			-1.17060e-03
Coefficient D			2.43500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	437.67	J/mol×K	273.00	Calculated Property
Cp,gas	542.78	J/mol×K	353.78	Calculated Property
Cp,gas	635.98	J/mol×K	434.56	Calculated Property
Cp,gas	718.05	J/mol×K	515.33	Calculated Property
Cp,gas	789.76	J/mol×K	596.11	Calculated Property
Cp,gas	851.87	J/mol×K	676.89	Calculated Property
Cp,gas	905.16	J/mol×K	757.67	Calculated Property
Cp,gas	950.39	J/mol×K	838.44	Calculated Property
Cp,gas	988.35	J/mol×K	919.22	Calculated Property
Cp,gas	1019.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035384; 0.0000542]	Pa×s	[363.39; 651.17]	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			-1.50985e+01
Coefficient B			3.43564e+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.			363.39
Temperature range, max.			651.17
η	0.0035384	Pa×s	363.39	Calculated Property
η	0.0016472	Pa×s	395.37	Calculated Property
η	0.0008597	Pa×s	427.34	Calculated Property
η	0.0004912	Pa×s	459.32	Calculated Property
η	0.0003019	Pa×s	491.29	Calculated Property
η	0.0001969	Pa×s	523.27	Calculated Property
η	0.0001349	Pa×s	555.24	Calculated Property
η	0.0000963	Pa×s	587.22	Calculated Property
η	0.0000712	Pa×s	619.19	Calculated Property
η	0.0000542	Pa×s	651.17	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 2,4,4-trimethylpentyl ester.

Sources

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

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