Chemical Properties of Glutaric acid, 2-methylhex-3-yl 2-(2-nitrophenyl)ethyl ester

InChI

InChI=1S/C20H29NO6/c1-4-8-18(15(2)3)27-20(23)12-7-11-19(22)26-14-13-16-9-5-6-10-17(16)21(24)25/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3

InChI Key

LABUEBFFQUWBLX-UHFFFAOYSA-N

Formula

C20H29NO6

SMILES

CCCC(OC(=O)CCCC(=O)OCCc1ccccc1[N+](=O)[O-])C(C)C

Molecular Weight¹

379.45

• 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).
• IE : Ionization energy (eV).
• 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, Log10 of Water solubility in mol/l 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	[978.30; 1033.29]	J/mol×K	[956.26; 1178.59]
Cp,gas	978.30	J/mol×K	956.26	Joback Calculated Property
Cp,gas	990.98	J/mol×K	993.31	Joback Calculated Property
Cp,gas	1002.19	J/mol×K	1030.37	Joback Calculated Property
Cp,gas	1011.99	J/mol×K	1067.42	Joback Calculated Property
Cp,gas	1020.42	J/mol×K	1104.48	Joback Calculated Property
Cp,gas	1027.50	J/mol×K	1141.53	Joback Calculated Property
Cp,gas	1033.29	J/mol×K	1178.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 2-(2-nitrophenyl)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

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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