Chemical Properties of Dimethylmalonic acid, decyl neopentyl ester

InChI

InChI=1S/C20H38O4/c1-7-8-9-10-11-12-13-14-15-23-17(21)20(5,6)18(22)24-16-19(2,3)4/h7-16H2,1-6H3

InChI Key

LXAURAQOXFMZBS-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(C)(C)C

Molecular Weight¹

342.51

• 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).
• 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, 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	[459.51; 1070.30]	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			-1.34200e+01
Coefficient B			2.04592e+00
Coefficient C			-1.21860e-03
Coefficient D			2.56400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	459.51	J/mol×K	273.00	Calculated Property
Cp,gas	569.22	J/mol×K	353.78	Calculated Property
Cp,gas	666.57	J/mol×K	434.56	Calculated Property
Cp,gas	752.38	J/mol×K	515.33	Calculated Property
Cp,gas	827.46	J/mol×K	596.11	Calculated Property
Cp,gas	892.62	J/mol×K	676.89	Calculated Property
Cp,gas	948.68	J/mol×K	757.67	Calculated Property
Cp,gas	996.43	J/mol×K	838.44	Calculated Property
Cp,gas	1036.70	J/mol×K	919.22	Calculated Property
Cp,gas	1070.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015778; 0.0000556]	Pa×s	[404.66; 665.50]	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			-1.49877e+01
Coefficient B			3.45416e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			404.66
Temperature range, max.			665.50
η	0.0015778	Pa×s	404.66	Calculated Property
η	0.0008918	Pa×s	433.64	Calculated Property
η	0.0005415	Pa×s	462.63	Calculated Property
η	0.0003487	Pa×s	491.61	Calculated Property
η	0.0002358	Pa×s	520.59	Calculated Property
η	0.0001662	Pa×s	549.57	Calculated Property
η	0.0001213	Pa×s	578.56	Calculated Property
η	0.0000912	Pa×s	607.54	Calculated Property
η	0.0000704	Pa×s	636.52	Calculated Property
η	0.0000556	Pa×s	665.50	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, decyl neopentyl ester.

Sources

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

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