Chemical Properties of Glutaric acid, cyclohexylmethyl 3-nitrobenzyl ester

InChI

InChI=1S/C19H25NO6/c21-18(25-13-15-6-2-1-3-7-15)10-5-11-19(22)26-14-16-8-4-9-17(12-16)20(23)24/h4,8-9,12,15H,1-3,5-7,10-11,13-14H2

InChI Key

BGZGBVYTBNZDND-UHFFFAOYSA-N

Formula

C19H25NO6

SMILES

O=C(CCCC(=O)OCC1CCCCC1)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

363.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.56; 925.51]	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			-4.32850e+01
Coefficient B			1.78226e+00
Coefficient C			-9.44160e-04
Coefficient D			1.30700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.56	J/mol×K	273.00	Calculated Property
Cp,gas	474.86	J/mol×K	353.78	Calculated Property
Cp,gas	563.64	J/mol×K	434.56	Calculated Property
Cp,gas	642.32	J/mol×K	515.33	Calculated Property
Cp,gas	711.32	J/mol×K	596.11	Calculated Property
Cp,gas	771.05	J/mol×K	676.89	Calculated Property
Cp,gas	821.92	J/mol×K	757.67	Calculated Property
Cp,gas	864.34	J/mol×K	838.44	Calculated Property
Cp,gas	898.74	J/mol×K	919.22	Calculated Property
Cp,gas	925.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 3-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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