Chemical Properties of Glutaric acid, hexyl 3-methyl-2-nitrobenzyl ester

InChI

InChI=1S/C19H27NO6/c1-3-4-5-6-13-25-17(21)11-8-12-18(22)26-14-16-10-7-9-15(2)19(16)20(23)24/h7,9-10H,3-6,8,11-14H2,1-2H3

InChI Key

LHUQAAOUVCQVIT-UHFFFAOYSA-N

Formula

C19H27NO6

SMILES

CCCCCCOC(=O)CCCC(=O)OCc1cccc(C)c1[N+](=O)[O-]

Molecular Weight¹

365.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[917.45; 972.08]	J/mol×K	[939.24; 1158.26]
Cp,gas	917.45	J/mol×K	939.24	Joback Calculated Property
Cp,gas	929.89	J/mol×K	975.74	Joback Calculated Property
Cp,gas	940.96	J/mol×K	1012.25	Joback Calculated Property
Cp,gas	950.69	J/mol×K	1048.75	Joback Calculated Property
Cp,gas	959.09	J/mol×K	1085.25	Joback Calculated Property
Cp,gas	966.22	J/mol×K	1121.75	Joback Calculated Property
Cp,gas	972.08	J/mol×K	1158.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexyl 3-methyl-2-nitrobenzyl 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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