Chemical Properties of Diethylmalonic acid, hexyl undecyl ester

InChI

InChI=1S/C24H46O4/c1-5-9-11-13-14-15-16-17-19-21-28-23(26)24(7-3,8-4)22(25)27-20-18-12-10-6-2/h5-21H2,1-4H3

InChI Key

FHJCVEVQYRFNGD-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCCCCC

Molecular Weight¹

398.62

• 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	[545.83; 1275.20]	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			7.41700e+00
Coefficient B			2.30008e+00
Coefficient C			-1.26440e-03
Coefficient D			2.32100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	545.83	J/mol×K	273.00	Calculated Property
Cp,gas	673.16	J/mol×K	353.78	Calculated Property
Cp,gas	787.21	J/mol×K	434.56	Calculated Property
Cp,gas	888.70	J/mol×K	515.33	Calculated Property
Cp,gas	978.38	J/mol×K	596.11	Calculated Property
Cp,gas	1056.98	J/mol×K	676.89	Calculated Property
Cp,gas	1125.22	J/mol×K	757.67	Calculated Property
Cp,gas	1183.85	J/mol×K	838.44	Calculated Property
Cp,gas	1233.60	J/mol×K	919.22	Calculated Property
Cp,gas	1275.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008487; 0.0000358]	Pa×s	[447.32; 738.67]	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			-1.50980e+01
Coefficient B			3.59026e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			447.32
Temperature range, max.			738.67
η	0.0008487	Pa×s	447.32	Calculated Property
η	0.0004938	Pa×s	479.69	Calculated Property
η	0.0003076	Pa×s	512.07	Calculated Property
η	0.0002027	Pa×s	544.44	Calculated Property
η	0.0001400	Pa×s	576.81	Calculated Property
η	0.0001006	Pa×s	609.18	Calculated Property
η	0.0000747	Pa×s	641.56	Calculated Property
η	0.0000571	Pa×s	673.93	Calculated Property
η	0.0000447	Pa×s	706.30	Calculated Property
η	0.0000358	Pa×s	738.67	Calculated Property

Similar Compounds

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

Sources

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

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