Chemical Properties of Benzoic acid, 3,5-dinitro, 1-phenylethyl ester

InChI

InChI=1S/C15H12N2O6/c1-10(11-5-3-2-4-6-11)23-15(18)12-7-13(16(19)20)9-14(8-12)17(21)22/h2-10H,1H3

InChI Key

YATKDADIXNBBCZ-UHFFFAOYSA-N

Formula

C15H12N2O6

SMILES

CC(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1

Molecular Weight¹

316.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[644.93; 677.62]	J/mol×K	[967.58; 1241.62]
Cp,gas	644.93	J/mol×K	967.58	Joback Calculated Property
Cp,gas	653.52	J/mol×K	1013.25	Joback Calculated Property
Cp,gas	660.73	J/mol×K	1058.93	Joback Calculated Property
Cp,gas	666.67	J/mol×K	1104.60	Joback Calculated Property
Cp,gas	671.40	J/mol×K	1150.28	Joback Calculated Property
Cp,gas	675.03	J/mol×K	1195.95	Joback Calculated Property
Cp,gas	677.62	J/mol×K	1241.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3,5-dinitro, 1-phenylethyl 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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