Chemical Properties of N,N-Dimethyl-4-nitro-3(trifluoromethyl)aniline

InChI

InChI=1S/C9H9F3N2O2/c1-13(2)6-3-4-8(14(15)16)7(5-6)9(10,11)12/h3-5H,1-2H3

InChI Key

HOAMACFOIBEPEK-UHFFFAOYSA-N

Formula

C9H9F3N2O2

SMILES

CN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

Molecular Weight¹

234.18

Other Names

• N,N-Dimethyl-4-nitro-3-trifluoromethylaniline

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.54; 433.57]	J/mol×K	[600.82; 817.56]
Cp,gas	373.54	J/mol×K	600.82	Joback Calculated Property
Cp,gas	385.68	J/mol×K	636.94	Joback Calculated Property
Cp,gas	396.89	J/mol×K	673.07	Joback Calculated Property
Cp,gas	407.22	J/mol×K	709.19	Joback Calculated Property
Cp,gas	416.74	J/mol×K	745.31	Joback Calculated Property
Cp,gas	425.50	J/mol×K	781.44	Joback Calculated Property
Cp,gas	433.57	J/mol×K	817.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to N,N-Dimethyl-4-nitro-3(trifluoromethyl)aniline.

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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