Chemical Properties of Diethylmalonic acid, 2,4,4-trimethylpentyl undecyl ester

InChI

InChI=1S/C26H50O4/c1-8-11-12-13-14-15-16-17-18-19-29-23(27)26(9-2,10-3)24(28)30-21-22(4)20-25(5,6)7/h22H,8-21H2,1-7H3

InChI Key

SQGBMJRUOCXPNV-UHFFFAOYSA-N

Formula

C26H50O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

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	[586.48; 1380.38]	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			-2.05560e+01
Coefficient B			2.62184e+00
Coefficient C			-1.54820e-03
Coefficient D			3.27300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	586.48	J/mol×K	273.00	Calculated Property
Cp,gas	727.71	J/mol×K	353.78	Calculated Property
Cp,gas	853.28	J/mol×K	434.56	Calculated Property
Cp,gas	964.21	J/mol×K	515.33	Calculated Property
Cp,gas	1061.53	J/mol×K	596.11	Calculated Property
Cp,gas	1146.29	J/mol×K	676.89	Calculated Property
Cp,gas	1219.52	J/mol×K	757.67	Calculated Property
Cp,gas	1282.26	J/mol×K	838.44	Calculated Property
Cp,gas	1335.53	J/mol×K	919.22	Calculated Property
Cp,gas	1380.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007288; 0.0000192]	Pa×s	[457.28; 774.79]	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			-1.60960e+01
Coefficient B			4.05694e+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.			457.28
Temperature range, max.			774.79
η	0.0007288	Pa×s	457.28	Calculated Property
η	0.0003861	Pa×s	492.56	Calculated Property
η	0.0002226	Pa×s	527.84	Calculated Property
η	0.0001376	Pa×s	563.12	Calculated Property
η	0.0000900	Pa×s	598.39	Calculated Property
η	0.0000617	Pa×s	633.67	Calculated Property
η	0.0000440	Pa×s	668.95	Calculated Property
η	0.0000325	Pa×s	704.23	Calculated Property
η	0.0000247	Pa×s	739.51	Calculated Property
η	0.0000192	Pa×s	774.79	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4,4-trimethylpentyl 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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