Chemical Properties of Diethylmalonic acid, 2-octyl undecyl ester

InChI

InChI=1S/C26H50O4/c1-6-10-12-14-15-16-17-18-20-22-29-24(27)26(8-3,9-4)25(28)30-23(5)21-19-13-11-7-2/h23H,6-22H2,1-5H3

InChI Key

QYXLUKYHFNEVAD-UHFFFAOYSA-N

Formula

C26H50O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)CCCCCC

Molecular Weight¹

426.68

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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	[587.94; 1378.92]	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			3.91700e+00
Coefficient B			2.49600e+00
Coefficient C			-1.37640e-03
Coefficient D			2.55400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	587.94	J/mol×K	273.00	Calculated Property
Cp,gas	725.99	J/mol×K	353.78	Calculated Property
Cp,gas	849.61	J/mol×K	434.56	Calculated Property
Cp,gas	959.61	J/mol×K	515.33	Calculated Property
Cp,gas	1056.81	J/mol×K	596.11	Calculated Property
Cp,gas	1142.00	J/mol×K	676.89	Calculated Property
Cp,gas	1216.00	J/mol×K	757.67	Calculated Property
Cp,gas	1279.62	J/mol×K	838.44	Calculated Property
Cp,gas	1333.65	J/mol×K	919.22	Calculated Property
Cp,gas	1378.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007680; 0.0000235]	Pa×s	[454.86; 778.29]	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			-1.55620e+01
Coefficient B			3.81640e+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.			454.86
Temperature range, max.			778.29
η	0.0007680	Pa×s	454.86	Calculated Property
η	0.0004155	Pa×s	490.80	Calculated Property
η	0.0002444	Pa×s	526.73	Calculated Property
η	0.0001539	Pa×s	562.67	Calculated Property
η	0.0001024	Pa×s	598.61	Calculated Property
η	0.0000714	Pa×s	634.54	Calculated Property
η	0.0000517	Pa×s	670.48	Calculated Property
η	0.0000387	Pa×s	706.42	Calculated Property
η	0.0000298	Pa×s	742.35	Calculated Property
η	0.0000235	Pa×s	778.29	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-octyl undecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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