Chemical Properties of Benzene, 4-bromo-1-chloro-2-(trifluoromethyl)- (CAS 445-01-2)

InChI

InChI=1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

InChI Key

XGOCKBMEZPNDPJ-UHFFFAOYSA-N

Formula

C7H3BrClF3

SMILES

FC(F)(F)c1cc(Br)ccc1Cl

Molecular Weight¹

259.45

CAS

445-01-2

Other Names

• 5-Bromo-2-chlorobenzotrifluoride
• Toluene, 5-bromo-2-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
• 5-Bromo-2-chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
• 4-bromo-2-chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene

• 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_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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.03; 265.79]	J/mol×K	[494.57; 713.19]
Cp,gas	224.03	J/mol×K	494.57	Joback Calculated Property
Cp,gas	232.68	J/mol×K	531.01	Joback Calculated Property
Cp,gas	240.59	J/mol×K	567.44	Joback Calculated Property
Cp,gas	247.80	J/mol×K	603.88	Joback Calculated Property
Cp,gas	254.37	J/mol×K	640.31	Joback Calculated Property
Cp,gas	260.35	J/mol×K	676.75	Joback Calculated Property
Cp,gas	265.79	J/mol×K	713.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 4-bromo-1-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

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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