Chemical Properties of Diethylmalonic acid, 2-nitrophenyl pentyl ester

InChI

InChI=1S/C18H25NO6/c1-4-7-10-13-24-16(20)18(5-2,6-3)17(21)25-15-12-9-8-11-14(15)19(22)23/h8-9,11-12H,4-7,10,13H2,1-3H3

InChI Key

FSGBPADWCTZYJJ-UHFFFAOYSA-N

Formula

C18H25NO6

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1[N+](=O)[O-]

Molecular Weight¹

351.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_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 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	[391.01; 890.32]	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			-1.24400e+00
Coefficient B			1.69102e+00
Coefficient C			-9.80560e-04
Coefficient D			1.81100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.01	J/mol×K	273.00	Calculated Property
Cp,gas	482.29	J/mol×K	353.78	Calculated Property
Cp,gas	563.29	J/mol×K	434.56	Calculated Property
Cp,gas	634.57	J/mol×K	515.33	Calculated Property
Cp,gas	696.71	J/mol×K	596.11	Calculated Property
Cp,gas	750.28	J/mol×K	676.89	Calculated Property
Cp,gas	795.85	J/mol×K	757.67	Calculated Property
Cp,gas	834.00	J/mol×K	838.44	Calculated Property
Cp,gas	865.30	J/mol×K	919.22	Calculated Property
Cp,gas	890.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-nitrophenyl pentyl ester.

Sources

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

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