Chemical Properties of Diethylmalonic acid, ethyl 2-hexyl ester

InChI

InChI=1S/C15H28O4/c1-6-10-11-12(5)19-14(17)15(7-2,8-3)13(16)18-9-4/h12H,6-11H2,1-5H3

InChI Key

DDBNJQZPLUIHMD-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CCCCC(C)OC(=O)C(CC)(CC)C(=O)OCC

Molecular Weight¹

272.38

• 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	[354.59; 811.42]	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			1.39160e+01
Coefficient B			1.45100e+00
Coefficient C			-7.78000e-04
Coefficient D			1.24500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.59	J/mol×K	273.00	Calculated Property
Cp,gas	435.39	J/mol×K	353.78	Calculated Property
Cp,gas	507.76	J/mol×K	434.56	Calculated Property
Cp,gas	572.09	J/mol×K	515.33	Calculated Property
Cp,gas	628.78	J/mol×K	596.11	Calculated Property
Cp,gas	678.23	J/mol×K	676.89	Calculated Property
Cp,gas	720.82	J/mol×K	757.67	Calculated Property
Cp,gas	756.96	J/mol×K	838.44	Calculated Property
Cp,gas	787.02	J/mol×K	919.22	Calculated Property
Cp,gas	811.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044348; 0.0001154]	Pa×s	[330.89; 584.84]	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			-1.38218e+01
Coefficient B			2.78064e+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.			330.89
Temperature range, max.			584.84
η	0.0044348	Pa×s	330.89	Calculated Property
η	0.0022915	Pa×s	359.11	Calculated Property
η	0.0013035	Pa×s	387.32	Calculated Property
η	0.0008006	Pa×s	415.54	Calculated Property
η	0.0005231	Pa×s	443.76	Calculated Property
η	0.0003597	Pa×s	471.97	Calculated Property
η	0.0002580	Pa×s	500.19	Calculated Property
η	0.0001917	Pa×s	528.41	Calculated Property
η	0.0001468	Pa×s	556.62	Calculated Property
η	0.0001154	Pa×s	584.84	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl 2-hexyl 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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