Chemical Properties of Benzenamine, 4-(trifluoromethyl)-

InChI

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

InChI Key

ODGIMMLDVSWADK-UHFFFAOYSA-N

Formula

C7H6F3N

SMILES

Nc1ccc(C(F)(F)F)cc1

Molecular Weight¹

161.13

Other Names

• p-Aminobenzotrifluoride
• 4-Aminobenzotrifluoride
• 4-Amino-«alpha»,«alpha»,«alpha»-benzotrifluoride
• p-Amino-«alpha»,«alpha»,«alpha»-trifluorotoluene
• p-Toluidine, «alpha»,«alpha»,«alpha»-trifluoro-
• p-(Trifluoromethyl)aniline
• 4-(Trifluoromethyl)aniline
• 4-(Trifluoromethyl)benzenamine
• «alpha»,«alpha»,«alpha»-Trifluoro-p-toluidine
• «alpha»,«alpha»,«alpha»-Trifluoro-p-anisidine
• Aniline, p-(trifluoromethyl)-
• 4-Aminobenzotrifluororide
• 1-Amino-4-(trifluoromethyl)benzene
• NSC 10337

• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-595.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.56	kJ/mol	Joback Calculated Property
ΔvapH°	52.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-1.58		Relay (1.0) Calculated Property
logPoct/wat	2.288		Crippen Calculated Property
McVol	101.020	ml/mol	McGowan Calculated Property
Inp	[1045.90; 1045.90]
Inp	1045.90		NIST
Inp	1045.90		NIST
Tboil	457.47	K	Relay (1.0) Calculated Property
Tc	648.10	K	Relay (1.0) Calculated Property
Tfus	338.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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	[356.20; 390.60]	K	[1.60; 8.00]
Tboilr	356.20	K	1.60	NIST
Tboilr	390.60	K	8.00	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, 4-(trifluoromethyl)-.

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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