Chemical Properties of Benzenamine, 2-(trifluoromethyl)- (CAS 88-17-5)

InChI

InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2

InChI Key

VBLXCTYLWZJBKA-UHFFFAOYSA-N

Formula

C7H6F3N

SMILES

Nc1ccccc1C(F)(F)F

Molecular Weight¹

161.12

CAS

88-17-5

Other Names

• 2-(Trifluoromethyl)aniline
• 2-(Trifluoromethyl)benzenamine
• 2-Aminobenzotrifluoride
• 2-Trifluoromethyl-phenylamine
• 2-Trifluromethylaniline
• NSC 10336
• UN 2942
• o-(Trifluoromethyl)aniline
• o-(Trifluoromethyl)phenylamine
• o-Aminobenzotrifluoride
• o-Toluidine, «alpha»,«alpha»,«alpha»-trifluoro-
• «alpha»,«alpha»,«alpha»-Trifluoro-o-toluidine

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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, 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[339.00; 341.20]	K	[2.00; 2.00]
Tboilr	339.00 ± 1.00	K	2.00	NIST
Tboilr	341.20	K	2.00	NIST
Tboilr	340.50 ± 0.50	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.78; 317.55]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.27900e+01
Coefficient B			7.53500e-01
Coefficient C			-5.85560e-04
Coefficient D			1.72400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.78	J/mol×K	273.00	Calculated Property
Cp,gas	178.13	J/mol×K	353.78	Calculated Property
Cp,gas	208.22	J/mol×K	434.56	Calculated Property
Cp,gas	233.60	J/mol×K	515.33	Calculated Property
Cp,gas	254.82	J/mol×K	596.11	Calculated Property
Cp,gas	272.42	J/mol×K	676.89	Calculated Property
Cp,gas	286.95	J/mol×K	757.67	Calculated Property
Cp,gas	298.95	J/mol×K	838.44	Calculated Property
Cp,gas	308.97	J/mol×K	919.22	Calculated Property
Cp,gas	317.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2-(trifluoromethyl)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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