Chemical Properties of Dimethylmalonic acid, dodecyl isobutyl ester

InChI

InChI=1S/C21H40O4/c1-6-7-8-9-10-11-12-13-14-15-16-24-19(22)21(4,5)20(23)25-17-18(2)3/h18H,6-17H2,1-5H3

InChI Key

BTKNOYLPUJMNCE-UHFFFAOYSA-N

Formula

C21H40O4

SMILES

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

Molecular Weight¹

356.55

• 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).
• 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 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	[481.87; 1120.96]	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			8.46200e+00
Coefficient B			2.02100e+00
Coefficient C			-1.10440e-03
Coefficient D			1.95900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	481.87	J/mol×K	273.00	Calculated Property
Cp,gas	593.90	J/mol×K	353.78	Calculated Property
Cp,gas	694.22	J/mol×K	434.56	Calculated Property
Cp,gas	783.47	J/mol×K	515.33	Calculated Property
Cp,gas	862.25	J/mol×K	596.11	Calculated Property
Cp,gas	931.20	J/mol×K	676.89	Calculated Property
Cp,gas	990.92	J/mol×K	757.67	Calculated Property
Cp,gas	1042.04	J/mol×K	838.44	Calculated Property
Cp,gas	1085.18	J/mol×K	919.22	Calculated Property
Cp,gas	1120.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017445; 0.0000528]	Pa×s	[398.51; 683.10]	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			-1.47465e+01
Coefficient B			3.34560e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			398.51
Temperature range, max.			683.10
η	0.0017445	Pa×s	398.51	Calculated Property
η	0.0009411	Pa×s	430.13	Calculated Property
η	0.0005525	Pa×s	461.75	Calculated Property
η	0.0003472	Pa×s	493.37	Calculated Property
η	0.0002308	Pa×s	525.00	Calculated Property
η	0.0001607	Pa×s	556.62	Calculated Property
η	0.0001163	Pa×s	588.24	Calculated Property
η	0.0000870	Pa×s	619.86	Calculated Property
η	0.0000670	Pa×s	651.48	Calculated Property
η	0.0000528	Pa×s	683.10	Calculated Property

Similar Compounds

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

Sources

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

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