Chemical Properties of Diethylmalonic acid, di(5-methoxy-3-methylpentyl) ester

InChI

InChI=1S/C21H40O6/c1-7-21(8-2,19(22)26-15-11-17(3)9-13-24-5)20(23)27-16-12-18(4)10-14-25-6/h17-18H,7-16H2,1-6H3

InChI Key

SPSYZNSKQBSKDA-UHFFFAOYSA-N

Formula

C21H40O6

SMILES

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

Molecular Weight¹

388.54

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[512.36; 1158.50]	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			5.77800e+01
Coefficient B			1.90052e+00
Coefficient C			-8.85600e-04
Coefficient D			8.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.36	J/mol×K	273.00	Calculated Property
Cp,gas	623.10	J/mol×K	353.78	Calculated Property
Cp,gas	723.47	J/mol×K	434.56	Calculated Property
Cp,gas	813.74	J/mol×K	515.33	Calculated Property
Cp,gas	894.18	J/mol×K	596.11	Calculated Property
Cp,gas	965.07	J/mol×K	676.89	Calculated Property
Cp,gas	1026.67	J/mol×K	757.67	Calculated Property
Cp,gas	1079.27	J/mol×K	838.44	Calculated Property
Cp,gas	1123.12	J/mol×K	919.22	Calculated Property
Cp,gas	1158.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008332; 0.0000270]	Pa×s	[427.97; 718.90]	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			-1.55666e+01
Coefficient B			3.62760e+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.			427.97
Temperature range, max.			718.90
η	0.0008332	Pa×s	427.97	Calculated Property
η	0.0004594	Pa×s	460.30	Calculated Property
η	0.0002739	Pa×s	492.62	Calculated Property
η	0.0001740	Pa×s	524.95	Calculated Property
η	0.0001166	Pa×s	557.27	Calculated Property
η	0.0000816	Pa×s	589.60	Calculated Property
η	0.0000593	Pa×s	621.92	Calculated Property
η	0.0000444	Pa×s	654.25	Calculated Property
η	0.0000342	Pa×s	686.57	Calculated Property
η	0.0000270	Pa×s	718.90	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(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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