Chemical Properties of Diethylmalonic acid, hexyl octyl ester

InChI

InChI=1S/C21H40O4/c1-5-9-11-13-14-16-18-25-20(23)21(7-3,8-4)19(22)24-17-15-12-10-6-2/h5-18H2,1-4H3

InChI Key

IZZNIXUHIZGHRF-UHFFFAOYSA-N

Formula

C21H40O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCCCCC

Molecular Weight¹

356.54

• 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	[482.19; 1120.42]	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			1.01440e+01
Coefficient B			2.01508e+00
Coefficient C			-1.10120e-03
Coefficient D			1.96400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	482.19	J/mol×K	273.00	Calculated Property
Cp,gas	593.91	J/mol×K	353.78	Calculated Property
Cp,gas	693.98	J/mol×K	434.56	Calculated Property
Cp,gas	783.02	J/mol×K	515.33	Calculated Property
Cp,gas	861.65	J/mol×K	596.11	Calculated Property
Cp,gas	930.49	J/mol×K	676.89	Calculated Property
Cp,gas	990.17	J/mol×K	757.67	Calculated Property
Cp,gas	1041.31	J/mol×K	838.44	Calculated Property
Cp,gas	1084.52	J/mol×K	919.22	Calculated Property
Cp,gas	1120.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013424; 0.0000573]	Pa×s	[413.51; 682.72]	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			-1.46125e+01
Coefficient B			3.30778e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			413.51
Temperature range, max.			682.72
η	0.0013424	Pa×s	413.51	Calculated Property
η	0.0007826	Pa×s	443.42	Calculated Property
η	0.0004885	Pa×s	473.33	Calculated Property
η	0.0003224	Pa×s	503.25	Calculated Property
η	0.0002230	Pa×s	533.16	Calculated Property
η	0.0001604	Pa×s	563.07	Calculated Property
η	0.0001192	Pa×s	592.98	Calculated Property
η	0.0000912	Pa×s	622.89	Calculated Property
η	0.0000715	Pa×s	652.81	Calculated Property
η	0.0000573	Pa×s	682.72	Calculated Property

Similar Compounds

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

Sources

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

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