Chemical Properties of Diethylmalonic acid, 2-ethylbutyl undecyl ester

InChI

InChI=1S/C24H46O4/c1-6-11-12-13-14-15-16-17-18-19-27-22(25)24(9-4,10-5)23(26)28-20-21(7-2)8-3/h21H,6-20H2,1-5H3

InChI Key

XUCHFOLEVYVOCK-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(CC)CC

Molecular Weight¹

398.63

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[545.51; 1275.73]	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			5.73500e+00
Coefficient B			2.30600e+00
Coefficient C			-1.26760e-03
Coefficient D			2.31600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	545.51	J/mol×K	273.00	Calculated Property
Cp,gas	673.15	J/mol×K	353.78	Calculated Property
Cp,gas	787.45	J/mol×K	434.56	Calculated Property
Cp,gas	889.16	J/mol×K	515.33	Calculated Property
Cp,gas	978.99	J/mol×K	596.11	Calculated Property
Cp,gas	1057.68	J/mol×K	676.89	Calculated Property
Cp,gas	1125.97	J/mol×K	757.67	Calculated Property
Cp,gas	1184.59	J/mol×K	838.44	Calculated Property
Cp,gas	1234.27	J/mol×K	919.22	Calculated Property
Cp,gas	1275.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010703; 0.0000330]	Pa×s	[432.32; 738.37]	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			-1.52320e+01
Coefficient B			3.62808e+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.			432.32
Temperature range, max.			738.37
η	0.0010703	Pa×s	432.32	Calculated Property
η	0.0005804	Pa×s	466.33	Calculated Property
η	0.0003420	Pa×s	500.33	Calculated Property
η	0.0002156	Pa×s	534.34	Calculated Property
η	0.0001436	Pa×s	568.34	Calculated Property
η	0.0001002	Pa×s	602.35	Calculated Property
η	0.0000726	Pa×s	636.35	Calculated Property
η	0.0000544	Pa×s	670.36	Calculated Property
η	0.0000419	Pa×s	704.36	Calculated Property
η	0.0000330	Pa×s	738.37	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-ethylbutyl undecyl ester.

Sources

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

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