Chemical Properties of Dimethylmalonic acid, dodecyl neopentyl ester

InChI

InChI=1S/C22H42O4/c1-7-8-9-10-11-12-13-14-15-16-17-25-19(23)22(5,6)20(24)26-18-21(2,3)4/h7-18H2,1-6H3

InChI Key

QEQAKCBHYUVDKH-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(C)(C)C

Molecular Weight¹

370.57

• 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	[501.94; 1173.48]	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			-1.52380e+01
Coefficient B			2.23592e+00
Coefficient C			-1.32740e-03
Coefficient D			2.80200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	501.94	J/mol×K	273.00	Calculated Property
Cp,gas	622.05	J/mol×K	353.78	Calculated Property
Cp,gas	728.72	J/mol×K	434.56	Calculated Property
Cp,gas	822.84	J/mol×K	515.33	Calculated Property
Cp,gas	905.28	J/mol×K	596.11	Calculated Property
Cp,gas	976.95	J/mol×K	676.89	Calculated Property
Cp,gas	1038.71	J/mol×K	757.67	Calculated Property
Cp,gas	1091.46	J/mol×K	838.44	Calculated Property
Cp,gas	1136.09	J/mol×K	919.22	Calculated Property
Cp,gas	1173.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011357; 0.0000410]	Pa×s	[427.20; 699.93]	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			-1.53069e+01
Coefficient B			3.64248e+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.			427.20
Temperature range, max.			699.93
η	0.0011357	Pa×s	427.20	Calculated Property
η	0.0006456	Pa×s	457.50	Calculated Property
η	0.0003937	Pa×s	487.81	Calculated Property
η	0.0002544	Pa×s	518.11	Calculated Property
η	0.0001725	Pa×s	548.41	Calculated Property
η	0.0001218	Pa×s	578.72	Calculated Property
η	0.0000891	Pa×s	609.02	Calculated Property
η	0.0000671	Pa×s	639.32	Calculated Property
η	0.0000518	Pa×s	669.62	Calculated Property
η	0.0000410	Pa×s	699.93	Calculated Property

Similar Compounds

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

Sources

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

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