Chemical Properties of Diethylmalonic acid, isobutyl 3-methoxyphenyl ester

InChI

InChI=1S/C18H26O5/c1-6-18(7-2,16(19)22-12-13(3)4)17(20)23-15-10-8-9-14(11-15)21-5/h8-11,13H,6-7,12H2,1-5H3

InChI Key

IWYLHMKCPCZBRC-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1cccc(OC)c1

Molecular Weight¹

322.40

• 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).
• IE : Ionization energy (eV).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[378.93; 863.12]	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			1.70830e+01
Coefficient B			1.53440e+00
Coefficient C			-7.94360e-04
Coefficient D			1.06000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.93	J/mol×K	273.00	Calculated Property
Cp,gas	465.19	J/mol×K	353.78	Calculated Property
Cp,gas	542.56	J/mol×K	434.56	Calculated Property
Cp,gas	611.36	J/mol×K	515.33	Calculated Property
Cp,gas	671.93	J/mol×K	596.11	Calculated Property
Cp,gas	724.62	J/mol×K	676.89	Calculated Property
Cp,gas	769.74	J/mol×K	757.67	Calculated Property
Cp,gas	807.64	J/mol×K	838.44	Calculated Property
Cp,gas	838.66	J/mol×K	919.22	Calculated Property
Cp,gas	863.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009222; 0.0000542]	Pa×s	[425.87; 687.96]	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			-1.44262e+01
Coefficient B			3.16737e+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.			425.87
Temperature range, max.			687.96
η	0.0009222	Pa×s	425.87	Calculated Property
η	0.0005729	Pa×s	454.99	Calculated Property
η	0.0003769	Pa×s	484.11	Calculated Property
η	0.0002600	Pa×s	513.23	Calculated Property
η	0.0001867	Pa×s	542.36	Calculated Property
η	0.0001386	Pa×s	571.48	Calculated Property
η	0.0001060	Pa×s	600.60	Calculated Property
η	0.0000830	Pa×s	629.72	Calculated Property
η	0.0000665	Pa×s	658.84	Calculated Property
η	0.0000542	Pa×s	687.96	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 3-methoxyphenyl 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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