Chemical Properties of Dimethylmalonic acid, dodecyl nonyl ester

InChI

InChI=1S/C26H50O4/c1-5-7-9-11-13-14-15-17-19-21-23-30-25(28)26(3,4)24(27)29-22-20-18-16-12-10-8-6-2/h5-23H2,1-4H3

InChI Key

CRAWWOJADMBVBW-UHFFFAOYSA-N

Formula

C26H50O4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCCCCCCC

Molecular Weight¹

426.67

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.25; 1378.38]	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			5.59900e+00
Coefficient B			2.49008e+00
Coefficient C			-1.37320e-03
Coefficient D			2.55900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	588.25	J/mol×K	273.00	Calculated Property
Cp,gas	726.00	J/mol×K	353.78	Calculated Property
Cp,gas	849.36	J/mol×K	434.56	Calculated Property
Cp,gas	959.16	J/mol×K	515.33	Calculated Property
Cp,gas	1056.21	J/mol×K	596.11	Calculated Property
Cp,gas	1141.30	J/mol×K	676.89	Calculated Property
Cp,gas	1215.25	J/mol×K	757.67	Calculated Property
Cp,gas	1278.88	J/mol×K	838.44	Calculated Property
Cp,gas	1332.99	J/mol×K	919.22	Calculated Property
Cp,gas	1378.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006198; 0.0000255]	Pa×s	[469.86; 779.12]	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			-1.54280e+01
Coefficient B			3.77858e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.86
Temperature range, max.			779.12
η	0.0006198	Pa×s	469.86	Calculated Property
η	0.0003583	Pa×s	504.22	Calculated Property
η	0.0002221	Pa×s	538.58	Calculated Property
η	0.0001458	Pa×s	572.95	Calculated Property
η	0.0001004	Pa×s	607.31	Calculated Property
η	0.0000720	Pa×s	641.67	Calculated Property
η	0.0000534	Pa×s	676.03	Calculated Property
η	0.0000407	Pa×s	710.39	Calculated Property
η	0.0000319	Pa×s	744.75	Calculated Property
η	0.0000255	Pa×s	779.12	Calculated Property

Similar Compounds

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

Sources

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

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