Chemical Properties of Diethylmalonic acid, 5-methoxy-3-methylpentyl undecyl ester

InChI

InChI=1S/C25H48O5/c1-6-9-10-11-12-13-14-15-16-19-29-23(26)25(7-2,8-3)24(27)30-21-18-22(4)17-20-28-5/h22H,6-21H2,1-5H3

InChI Key

RCJRVRXQZHKQCX-UHFFFAOYSA-N

Formula

C25H48O5

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCC(C)CCOC

Molecular Weight¹

428.65

• 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	[582.13; 1345.83]	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			3.03260e+01
Coefficient B			2.33780e+00
Coefficient C			-1.21100e-03
Coefficient D			1.88700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	582.13	J/mol×K	273.00	Calculated Property
Cp,gas	714.18	J/mol×K	353.78	Calculated Property
Cp,gas	833.03	J/mol×K	434.56	Calculated Property
Cp,gas	939.29	J/mol×K	515.33	Calculated Property
Cp,gas	1033.56	J/mol×K	596.11	Calculated Property
Cp,gas	1116.43	J/mol×K	676.89	Calculated Property
Cp,gas	1188.49	J/mol×K	757.67	Calculated Property
Cp,gas	1250.34	J/mol×K	838.44	Calculated Property
Cp,gas	1302.59	J/mol×K	919.22	Calculated Property
Cp,gas	1345.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005578; 0.0000204]	Pa×s	[465.82; 777.78]	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			-1.57443e+01
Coefficient B			3.84433e+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.			465.82
Temperature range, max.			777.78
η	0.0005578	Pa×s	465.82	Calculated Property
η	0.0003149	Pa×s	500.48	Calculated Property
η	0.0001915	Pa×s	535.15	Calculated Property
η	0.0001237	Pa×s	569.81	Calculated Property
η	0.0000840	Pa×s	604.47	Calculated Property
η	0.0000595	Pa×s	639.13	Calculated Property
η	0.0000437	Pa×s	673.80	Calculated Property
η	0.0000330	Pa×s	708.46	Calculated Property
η	0.0000256	Pa×s	743.12	Calculated Property
η	0.0000204	Pa×s	777.78	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 5-methoxy-3-methylpentyl 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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