Chemical Properties of Dimethylmalonic acid, neopentyl octadecyl ester

InChI

InChI=1S/C28H54O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-25(29)28(5,6)26(30)32-24-27(2,3)4/h7-24H2,1-6H3

InChI Key

PFJSKCXVYUPHQV-UHFFFAOYSA-N

Formula

C28H54O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(C)(C)C

Molecular Weight¹

454.74

• 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	[629.22; 1483.03]	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			-2.06920e+01
Coefficient B			2.80592e+00
Coefficient C			-1.65380e-03
Coefficient D			3.51600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	629.22	J/mol×K	273.00	Calculated Property
Cp,gas	780.56	J/mol×K	353.78	Calculated Property
Cp,gas	915.19	J/mol×K	434.56	Calculated Property
Cp,gas	1034.21	J/mol×K	515.33	Calculated Property
Cp,gas	1138.75	J/mol×K	596.11	Calculated Property
Cp,gas	1229.91	J/mol×K	676.89	Calculated Property
Cp,gas	1308.81	J/mol×K	757.67	Calculated Property
Cp,gas	1376.55	J/mol×K	838.44	Calculated Property
Cp,gas	1434.25	J/mol×K	919.22	Calculated Property
Cp,gas	1483.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004125; 0.0000144]	Pa×s	[494.82; 817.03]	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			-1.62963e+01
Coefficient B			4.20744e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			494.82
Temperature range, max.			817.03
η	0.0004125	Pa×s	494.82	Calculated Property
η	0.0002324	Pa×s	530.62	Calculated Property
η	0.0001408	Pa×s	566.42	Calculated Property
η	0.0000905	Pa×s	602.22	Calculated Property
η	0.0000612	Pa×s	638.02	Calculated Property
η	0.0000431	Pa×s	673.83	Calculated Property
η	0.0000314	Pa×s	709.63	Calculated Property
η	0.0000237	Pa×s	745.43	Calculated Property
η	0.0000183	Pa×s	781.23	Calculated Property
η	0.0000144	Pa×s	817.03	Calculated Property

Similar Compounds

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

Sources

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

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