Chemical Properties of Glutaric acid, 3-nitro-4-methoxybenzyl propyl ester

InChI

InChI=1S/C16H21NO7/c1-3-9-23-15(18)5-4-6-16(19)24-11-12-7-8-14(22-2)13(10-12)17(20)21/h7-8,10H,3-6,9,11H2,1-2H3

InChI Key

JHCJFJHHNKFPGA-UHFFFAOYSA-N

Formula

C16H21NO7

SMILES

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

Molecular Weight¹

339.34

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[368.00; 801.13]	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			6.48460e+01
Coefficient B			1.25250e+00
Coefficient C			-5.21920e-04
Coefficient D			5.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.00	J/mol×K	273.00	Calculated Property
Cp,gas	442.88	J/mol×K	353.78	Calculated Property
Cp,gas	511.04	J/mol×K	434.56	Calculated Property
Cp,gas	572.48	J/mol×K	515.33	Calculated Property
Cp,gas	627.22	J/mol×K	596.11	Calculated Property
Cp,gas	675.28	J/mol×K	676.89	Calculated Property
Cp,gas	716.69	J/mol×K	757.67	Calculated Property
Cp,gas	751.45	J/mol×K	838.44	Calculated Property
Cp,gas	779.59	J/mol×K	919.22	Calculated Property
Cp,gas	801.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-nitro-4-methoxybenzyl propyl 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.
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