Chemical Properties of Diethylmalonic acid, 2,6-dimethoxyphenyl isobutyl ester

InChI

InChI=1S/C19H28O6/c1-7-19(8-2,17(20)24-12-13(3)4)18(21)25-16-14(22-5)10-9-11-15(16)23-6/h9-11,13H,7-8,12H2,1-6H3

InChI Key

ZUOGJRNTNSGRAM-UHFFFAOYSA-N

Formula

C19H28O6

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

352.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[418.10; 930.17]	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			5.59730e+01
Coefficient B			1.50672e+00
Coefficient C			-6.70720e-04
Coefficient D			3.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.10	J/mol×K	273.00	Calculated Property
Cp,gas	506.76	J/mol×K	353.78	Calculated Property
Cp,gas	587.20	J/mol×K	434.56	Calculated Property
Cp,gas	659.54	J/mol×K	515.33	Calculated Property
Cp,gas	723.90	J/mol×K	596.11	Calculated Property
Cp,gas	780.39	J/mol×K	676.89	Calculated Property
Cp,gas	829.15	J/mol×K	757.67	Calculated Property
Cp,gas	870.28	J/mol×K	838.44	Calculated Property
Cp,gas	903.92	J/mol×K	919.22	Calculated Property
Cp,gas	930.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004237; 0.0000365]	Pa×s	[471.89; 723.00]	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			-1.48282e+01
Coefficient B			3.33236e+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.			471.89
Temperature range, max.			723.00
η	0.0004237	Pa×s	471.89	Calculated Property
η	0.0002857	Pa×s	499.79	Calculated Property
η	0.0002008	Pa×s	527.69	Calculated Property
η	0.0001462	Pa×s	555.59	Calculated Property
η	0.0001098	Pa×s	583.49	Calculated Property
η	0.0000846	Pa×s	611.39	Calculated Property
η	0.0000667	Pa×s	639.30	Calculated Property
η	0.0000536	Pa×s	667.20	Calculated Property
η	0.0000439	Pa×s	695.10	Calculated Property
η	0.0000365	Pa×s	723.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,6-dimethoxyphenyl isobutyl 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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