Chemical Properties of Diethylmalonic acid, 2-formylphenyl undecyl ester

InChI

InChI=1S/C25H38O5/c1-4-7-8-9-10-11-12-13-16-19-29-23(27)25(5-2,6-3)24(28)30-22-18-15-14-17-21(22)20-26/h14-15,17-18,20H,4-13,16,19H2,1-3H3

InChI Key

BQGNCUHHIWQQDJ-UHFFFAOYSA-N

Formula

C25H38O5

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

418.57

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[517.25; 1196.00]	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			-1.69800e+00
Coefficient B			2.23116e+00
Coefficient C			-1.27596e-03
Coefficient D			2.42500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	517.25	J/mol×K	273.00	Calculated Property
Cp,gas	638.68	J/mol×K	353.78	Calculated Property
Cp,gas	746.81	J/mol×K	434.56	Calculated Property
Cp,gas	842.43	J/mol×K	515.33	Calculated Property
Cp,gas	926.28	J/mol×K	596.11	Calculated Property
Cp,gas	999.14	J/mol×K	676.89	Calculated Property
Cp,gas	1061.78	J/mol×K	757.67	Calculated Property
Cp,gas	1114.95	J/mol×K	838.44	Calculated Property
Cp,gas	1159.44	J/mol×K	919.22	Calculated Property
Cp,gas	1196.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003785; 0.0000315]	Pa×s	[539.53; 827.24]	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			-1.50321e+01
Coefficient B			3.85921e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			539.53
Temperature range, max.			827.24
η	0.0003785	Pa×s	539.53	Calculated Property
η	0.0002537	Pa×s	571.50	Calculated Property
η	0.0001774	Pa×s	603.47	Calculated Property
η	0.0001286	Pa×s	635.43	Calculated Property
η	0.0000961	Pa×s	667.40	Calculated Property
η	0.0000738	Pa×s	699.37	Calculated Property
η	0.0000580	Pa×s	731.34	Calculated Property
η	0.0000465	Pa×s	763.30	Calculated Property
η	0.0000379	Pa×s	795.27	Calculated Property
η	0.0000315	Pa×s	827.24	Calculated Property

Similar Compounds

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

Sources

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

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