Chemical Properties of Glutaric acid, 3-methoxy-4-nitrobenzyl ethyl ester

InChI

InChI=1S/C15H19NO7/c1-3-22-14(17)5-4-6-15(18)23-10-11-7-8-12(16(19)20)13(9-11)21-2/h7-9H,3-6,10H2,1-2H3

InChI Key

RPSPBPZWTNEDPN-UHFFFAOYSA-N

Formula

C15H19NO7

SMILES

CCOC(=O)CCCC(=O)OCc1ccc([N+](=O)[O-])c(OC)c1

Molecular Weight¹

325.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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 Pressure, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.88; 763.92]	J/mol×K	[870.14; 1089.83]
Cp,gas	714.88	J/mol×K	870.14	Joback Calculated Property
Cp,gas	726.30	J/mol×K	906.75	Joback Calculated Property
Cp,gas	736.43	J/mol×K	943.37	Joback Calculated Property
Cp,gas	745.26	J/mol×K	979.98	Joback Calculated Property
Cp,gas	752.78	J/mol×K	1016.60	Joback Calculated Property
Cp,gas	759.01	J/mol×K	1053.21	Joback Calculated Property
Cp,gas	763.92	J/mol×K	1089.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methoxy-4-nitrobenzyl ethyl 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

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