Chemical Properties of 2-Trifluoromethyl-N,N-dimethyl-4-nitroaniline (CAS 54672-09-2)

InChI

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

InChI Key

OIZCWRMHLSZGKT-UHFFFAOYSA-N

Formula

C9H9F3N2O2

SMILES

CN(C)c1ccc([N+](=O)[O-])cc1C(F)(F)F

Molecular Weight¹

234.18

CAS

54672-09-2

Other Names

• N,N-Dimethyl-4-nitro-2-trifluoromethylaniline
• Benzene, 1-trifluoromethyl-2-dimethylamino-5-nitro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 2-Trifluoromethyl-N,N-dimethyl-4-nitroaniline.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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