Chemical Properties of Malonic acid, (alpha,alpha,alpha-trifluoro-m-toluidine)methylene-, diethyl ester

InChI

InChI=1S/C15H16F3NO4/c1-3-22-13(20)12(14(21)23-4-2)9-19-11-7-5-6-10(8-11)15(16,17)18/h5-9,19H,3-4H2,1-2H3

InChI Key

RFRRNORICIZXCP-UHFFFAOYSA-N

Formula

C15H16F3NO4

SMILES

CCOC(=O)C(=CNc1cccc(C(F)(F)F)c1)C(=O)OCC

Molecular Weight¹

331.29

Other Names

• diethyl [(«alpha»,«alpha»,«alpha»-trifluoro-m-toluidino)methylene]malonate

• 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).
• 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, 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	[639.82; 702.67]	J/mol×K	[739.69; 936.73]
Cp,gas	639.82	J/mol×K	739.69	Joback Calculated Property
Cp,gas	652.60	J/mol×K	772.53	Joback Calculated Property
Cp,gas	664.40	J/mol×K	805.37	Joback Calculated Property
Cp,gas	675.27	J/mol×K	838.21	Joback Calculated Property
Cp,gas	685.24	J/mol×K	871.05	Joback Calculated Property
Cp,gas	694.36	J/mol×K	903.89	Joback Calculated Property
Cp,gas	702.67	J/mol×K	936.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, (alpha,alpha,alpha-trifluoro-m-toluidine)methylene-, diethyl 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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