Chemical Properties of Glutaric acid, 2-nitro-3-chlorobenzyl octyl ester

InChI

InChI=1S/C20H28ClNO6/c1-2-3-4-5-6-7-14-27-18(23)12-9-13-19(24)28-15-16-10-8-11-17(21)20(16)22(25)26/h8,10-11H,2-7,9,12-15H2,1H3

InChI Key

FSHVTKHTYHZAOS-UHFFFAOYSA-N

Formula

C20H28ClNO6

SMILES

CCCCCCCCOC(=O)CCCC(=O)OCc1cccc(Cl)c1[N+](=O)[O-]

Molecular Weight¹

413.89

• 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	[997.12; 1042.61]	J/mol×K	[999.55; 1226.45]
Cp,gas	997.12	J/mol×K	999.55	Joback Calculated Property
Cp,gas	1008.20	J/mol×K	1037.37	Joback Calculated Property
Cp,gas	1017.83	J/mol×K	1075.18	Joback Calculated Property
Cp,gas	1026.04	J/mol×K	1113.00	Joback Calculated Property
Cp,gas	1032.89	J/mol×K	1150.82	Joback Calculated Property
Cp,gas	1038.40	J/mol×K	1188.64	Joback Calculated Property
Cp,gas	1042.61	J/mol×K	1226.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-nitro-3-chlorobenzyl octyl 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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