Chemical Properties of Diethylmalonic acid, 4-nitrophenyl nonyl ester

InChI

InChI=1S/C22H33NO6/c1-4-7-8-9-10-11-12-17-28-20(24)22(5-2,6-3)21(25)29-19-15-13-18(14-16-19)23(26)27/h13-16H,4-12,17H2,1-3H3

InChI Key

IWPOEQNKASGOIB-UHFFFAOYSA-N

Formula

C22H33NO6

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

407.51

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[475.86; 1096.68]	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			-4.88000e+00
Coefficient B			2.07102e+00
Coefficient C			-1.19816e-03
Coefficient D			2.28700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	475.86	J/mol×K	273.00	Calculated Property
Cp,gas	587.97	J/mol×K	353.78	Calculated Property
Cp,gas	687.60	J/mol×K	434.56	Calculated Property
Cp,gas	775.49	J/mol×K	515.33	Calculated Property
Cp,gas	852.36	J/mol×K	596.11	Calculated Property
Cp,gas	918.93	J/mol×K	676.89	Calculated Property
Cp,gas	975.92	J/mol×K	757.67	Calculated Property
Cp,gas	1024.06	J/mol×K	838.44	Calculated Property
Cp,gas	1064.07	J/mol×K	919.22	Calculated Property
Cp,gas	1096.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-nitrophenyl nonyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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