Chemical Properties of Diethylmalonic acid, decyl 2-formylphenyl ester

InChI

InChI=1S/C24H36O5/c1-4-7-8-9-10-11-12-15-18-28-22(26)24(5-2,6-3)23(27)29-21-17-14-13-16-20(21)19-25/h13-14,16-17,19H,4-12,15,18H2,1-3H3

InChI Key

DVNLBEYAODALJC-UHFFFAOYSA-N

Formula

C24H36O5

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

404.54

• 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	[496.03; 1144.41]	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			-7.89000e-01
Coefficient B			2.13616e+00
Coefficient C			-1.22156e-03
Coefficient D			2.30600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	496.03	J/mol×K	273.00	Calculated Property
Cp,gas	612.26	J/mol×K	353.78	Calculated Property
Cp,gas	715.74	J/mol×K	434.56	Calculated Property
Cp,gas	807.20	J/mol×K	515.33	Calculated Property
Cp,gas	887.37	J/mol×K	596.11	Calculated Property
Cp,gas	956.98	J/mol×K	676.89	Calculated Property
Cp,gas	1016.76	J/mol×K	757.67	Calculated Property
Cp,gas	1067.44	J/mol×K	838.44	Calculated Property
Cp,gas	1109.75	J/mol×K	919.22	Calculated Property
Cp,gas	1144.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004351; 0.0000368]	Pa×s	[528.26; 808.40]	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			-1.48672e+01
Coefficient B			3.76505e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			528.26
Temperature range, max.			808.40
η	0.0004351	Pa×s	528.26	Calculated Property
η	0.0002926	Pa×s	559.39	Calculated Property
η	0.0002052	Pa×s	590.51	Calculated Property
η	0.0001491	Pa×s	621.64	Calculated Property
η	0.0001117	Pa×s	652.77	Calculated Property
η	0.0000859	Pa×s	683.89	Calculated Property
η	0.0000676	Pa×s	715.02	Calculated Property
η	0.0000543	Pa×s	746.15	Calculated Property
η	0.0000444	Pa×s	777.27	Calculated Property
η	0.0000368	Pa×s	808.40	Calculated Property

Similar Compounds

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

Sources

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

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