Chemical Properties of Diethylmalonic acid, ethyl hexyl ester

InChI

InChI=1S/C15H28O4/c1-5-9-10-11-12-19-14(17)15(6-2,7-3)13(16)18-8-4/h5-12H2,1-4H3

InChI Key

JVKSOZUUKCRFAC-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)OCC

Molecular Weight¹

272.38

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.90; 810.88]	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			1.55980e+01
Coefficient B			1.44508e+00
Coefficient C			-7.74800e-04
Coefficient D			1.25000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.90	J/mol×K	273.00	Calculated Property
Cp,gas	435.40	J/mol×K	353.78	Calculated Property
Cp,gas	507.51	J/mol×K	434.56	Calculated Property
Cp,gas	571.64	J/mol×K	515.33	Calculated Property
Cp,gas	628.18	J/mol×K	596.11	Calculated Property
Cp,gas	677.53	J/mol×K	676.89	Calculated Property
Cp,gas	720.07	J/mol×K	757.67	Calculated Property
Cp,gas	756.22	J/mol×K	838.44	Calculated Property
Cp,gas	786.35	J/mol×K	919.22	Calculated Property
Cp,gas	810.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031573; 0.0001252]	Pa×s	[345.89; 583.33]	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			-1.36878e+01
Coefficient B			2.74282e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			345.89
Temperature range, max.			583.33
η	0.0031573	Pa×s	345.89	Calculated Property
η	0.0018000	Pa×s	372.27	Calculated Property
η	0.0011054	Pa×s	398.65	Calculated Property
η	0.0007212	Pa×s	425.04	Calculated Property
η	0.0004946	Pa×s	451.42	Calculated Property
η	0.0003536	Pa×s	477.80	Calculated Property
η	0.0002619	Pa×s	504.18	Calculated Property
η	0.0001998	Pa×s	530.56	Calculated Property
η	0.0001564	Pa×s	556.94	Calculated Property
η	0.0001252	Pa×s	583.33	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl hexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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