Chemical Properties of Benzenamine, 4-chloro-2-(trifluoromethyl)- (CAS 445-03-4)

InChI

InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

InChI Key

CVINWVPRKDIGLL-UHFFFAOYSA-N

Formula

C7H5ClF3N

SMILES

Nc1ccc(Cl)cc1C(F)(F)F

Molecular Weight¹

195.57

CAS

445-03-4

Other Names

• o-Toluidine, 4-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
• C.I. Azoic Diazo Component 17
• C.I. 37055
• Diazo Fast Scarlet VD
• Fast Scarlet Salt VD
• Fast Scarlet VD Salt
• Scarlet Salt NVD
• 4-Chloro-2-(trifluoromethyl)aniline
• 2-Amino-5-chlorobenzotrifluoride
• 5-Chloro-2-aminobenzotrifluoride
• 2-Trifluoromethyl-4-chloroaniline
• 4-Chloro-«alpha»,«alpha»,«alpha»-trifluoro-o-toluidine
• 5-Chloro-2-aminotrifluorotoluene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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, 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[339.70; 360.50]	K	[0.40; 1.30]
Tboilr	339.70	K	0.40	NIST
Tboilr	350.00 ± 1.00	K	0.45	NIST
Tboilr	360.50 ± 0.50	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.74; 322.78]	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			4.40000e+00
Coefficient B			7.00800e-01
Coefficient C			-5.38920e-04
Coefficient D			1.56500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.74	J/mol×K	273.00	Calculated Property
Cp,gas	191.81	J/mol×K	353.78	Calculated Property
Cp,gas	220.01	J/mol×K	434.56	Calculated Property
Cp,gas	243.84	J/mol×K	515.33	Calculated Property
Cp,gas	263.80	J/mol×K	596.11	Calculated Property
Cp,gas	280.38	J/mol×K	676.89	Calculated Property
Cp,gas	294.07	J/mol×K	757.67	Calculated Property
Cp,gas	305.37	J/mol×K	838.44	Calculated Property
Cp,gas	314.78	J/mol×K	919.22	Calculated Property
Cp,gas	322.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 4-chloro-2-(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

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