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

InChI

InChI=1S/C20H38O5/c1-6-9-10-11-14-24-18(21)20(7-2,8-3)19(22)25-16-13-17(4)12-15-23-5/h17H,6-16H2,1-5H3

InChI Key

XPXNKBZXKDGXKC-UHFFFAOYSA-N

Formula

C20H38O5

SMILES

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

Molecular Weight¹

358.51

• 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	[476.06; 1087.87]	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			3.48710e+01
Coefficient B			1.86280e+00
Coefficient C			-9.39000e-04
Coefficient D			1.29200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.06	J/mol×K	273.00	Calculated Property
Cp,gas	582.08	J/mol×K	353.78	Calculated Property
Cp,gas	677.64	J/mol×K	434.56	Calculated Property
Cp,gas	763.15	J/mol×K	515.33	Calculated Property
Cp,gas	839.00	J/mol×K	596.11	Calculated Property
Cp,gas	905.62	J/mol×K	676.89	Calculated Property
Cp,gas	963.41	J/mol×K	757.67	Calculated Property
Cp,gas	1012.77	J/mol×K	838.44	Calculated Property
Cp,gas	1054.12	J/mol×K	919.22	Calculated Property
Cp,gas	1087.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012442; 0.0000459]	Pa×s	[409.47; 682.94]	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			-1.49280e+01
Coefficient B			3.37353e+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.			409.47
Temperature range, max.			682.94
η	0.0012442	Pa×s	409.47	Calculated Property
η	0.0007042	Pa×s	439.86	Calculated Property
η	0.0004290	Pa×s	470.24	Calculated Property
η	0.0002776	Pa×s	500.63	Calculated Property
η	0.0001888	Pa×s	531.01	Calculated Property
η	0.0001338	Pa×s	561.40	Calculated Property
η	0.0000983	Pa×s	591.78	Calculated Property
η	0.0000744	Pa×s	622.17	Calculated Property
η	0.0000578	Pa×s	652.56	Calculated Property
η	0.0000459	Pa×s	682.94	Calculated Property

Similar Compounds

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