Chemical Properties of Diethylmalonic acid, ethyl 4-methylpent-2-yl ester

InChI

InChI=1S/C15H28O4/c1-7-15(8-2,13(16)18-9-3)14(17)19-12(6)10-11(4)5/h11-12H,7-10H2,1-6H3

InChI Key

QOMKEPLQRXPOCG-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CCOC(=O)C(CC)(CC)C(=O)OC(C)CC(C)C

Molecular Weight¹

272.38

• 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).
• 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, 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	[354.27; 811.95]	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			1.22340e+01
Coefficient B			1.45692e+00
Coefficient C			-7.81200e-04
Coefficient D			1.24000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.27	J/mol×K	273.00	Calculated Property
Cp,gas	435.38	J/mol×K	353.78	Calculated Property
Cp,gas	508.00	J/mol×K	434.56	Calculated Property
Cp,gas	572.54	J/mol×K	515.33	Calculated Property
Cp,gas	629.39	J/mol×K	596.11	Calculated Property
Cp,gas	678.93	J/mol×K	676.89	Calculated Property
Cp,gas	721.57	J/mol×K	757.67	Calculated Property
Cp,gas	757.69	J/mol×K	838.44	Calculated Property
Cp,gas	787.69	J/mol×K	919.22	Calculated Property
Cp,gas	811.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065160; 0.0001062]	Pa×s	[315.89; 586.44]	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			-1.39558e+01
Coefficient B			2.81846e+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.			315.89
Temperature range, max.			586.44
η	0.0065160	Pa×s	315.89	Calculated Property
η	0.0030010	Pa×s	345.95	Calculated Property
η	0.0015646	Pa×s	376.01	Calculated Property
η	0.0008983	Pa×s	406.07	Calculated Property
η	0.0005567	Pa×s	436.14	Calculated Property
η	0.0003670	Pa×s	466.20	Calculated Property
η	0.0002545	Pa×s	496.26	Calculated Property
η	0.0001840	Pa×s	526.32	Calculated Property
η	0.0001377	Pa×s	556.38	Calculated Property
η	0.0001062	Pa×s	586.44	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl 4-methylpent-2-yl 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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