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

InChI

InChI=1S/C23H34ClNO6/c1-2-3-4-5-6-7-8-9-10-17-30-21(26)15-12-16-22(27)31-18-19-13-11-14-20(24)23(19)25(28)29/h11,13-14H,2-10,12,15-18H2,1H3

InChI Key

UCUKVNXSEYTTGC-UHFFFAOYSA-N

Formula

C23H34ClNO6

SMILES

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

Molecular Weight¹

455.98

• 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	[1175.16; 1218.20]	J/mol×K	[1068.19; 1308.08]
Cp,gas	1175.16	J/mol×K	1068.19	Joback Calculated Property
Cp,gas	1186.34	J/mol×K	1108.17	Joback Calculated Property
Cp,gas	1195.84	J/mol×K	1148.15	Joback Calculated Property
Cp,gas	1203.72	J/mol×K	1188.14	Joback Calculated Property
Cp,gas	1210.04	J/mol×K	1228.12	Joback Calculated Property
Cp,gas	1214.84	J/mol×K	1268.10	Joback Calculated Property
Cp,gas	1218.20	J/mol×K	1308.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-nitro-3-chlorobenzyl undecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.