Chemical Properties of (Z)-3-(p-Methylphenylamino)-2-nitrocrotonic acid methyl ester

InChI

InChI=1S/C12H14N2O4/c1-8-4-6-10(7-5-8)13-9(2)11(14(16)17)12(15)18-3/h4-7,13H,1-3H3/b11-9-

InChI Key

CPKKJRLGHKIKRG-LUAWRHEFSA-N

Formula

C12H14N2O4

SMILES

COC(=O)/C(=C(\C)Nc1ccc(C)cc1)[N+](=O)[O-]

Molecular Weight¹

250.25

• 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	[519.02; 578.89]	J/mol×K	[769.97; 1010.45]
Cp,gas	519.02	J/mol×K	769.97	Joback Calculated Property
Cp,gas	531.48	J/mol×K	810.05	Joback Calculated Property
Cp,gas	542.87	J/mol×K	850.13	Joback Calculated Property
Cp,gas	553.24	J/mol×K	890.21	Joback Calculated Property
Cp,gas	562.66	J/mol×K	930.29	Joback Calculated Property
Cp,gas	571.19	J/mol×K	970.37	Joback Calculated Property
Cp,gas	578.89	J/mol×K	1010.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-(p-Methylphenylamino)-2-nitrocrotonic acid methyl 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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