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

InChI

InChI=1S/C20H38O4/c1-8-11-12-13-23-17(21)20(9-2,10-3)18(22)24-15-16(4)14-19(5,6)7/h16H,8-15H2,1-7H3

InChI Key

RRULUEJODLJLSQ-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

342.52

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[459.20; 1070.84]	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			-1.51020e+01
Coefficient B			2.05184e+00
Coefficient C			-1.22180e-03
Coefficient D			2.55900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	459.20	J/mol×K	273.00	Calculated Property
Cp,gas	569.21	J/mol×K	353.78	Calculated Property
Cp,gas	666.81	J/mol×K	434.56	Calculated Property
Cp,gas	752.83	J/mol×K	515.33	Calculated Property
Cp,gas	828.06	J/mol×K	596.11	Calculated Property
Cp,gas	893.33	J/mol×K	676.89	Calculated Property
Cp,gas	949.43	J/mol×K	757.67	Calculated Property
Cp,gas	997.17	J/mol×K	838.44	Calculated Property
Cp,gas	1037.37	J/mol×K	919.22	Calculated Property
Cp,gas	1070.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021121; 0.0000511]	Pa×s	[389.66; 666.36]	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			-1.51217e+01
Coefficient B			3.49198e+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.			389.66
Temperature range, max.			666.36
η	0.0021121	Pa×s	389.66	Calculated Property
η	0.0010967	Pa×s	420.40	Calculated Property
η	0.0006227	Pa×s	451.15	Calculated Property
η	0.0003800	Pa×s	481.89	Calculated Property
η	0.0002461	Pa×s	512.64	Calculated Property
η	0.0001674	Pa×s	543.38	Calculated Property
η	0.0001186	Pa×s	574.13	Calculated Property
η	0.0000871	Pa×s	604.87	Calculated Property
η	0.0000659	Pa×s	635.62	Calculated Property
η	0.0000511	Pa×s	666.36	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentyl 2,4,4-trimethylpentyl 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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