Chemical Properties of 5-Bromo-2-fluorotoluene

InChI

InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChI Key

VXKYOKPNAXNAFU-UHFFFAOYSA-N

Formula

C7H6BrF

SMILES

Cc1cc(Br)ccc1F

Molecular Weight¹

189.03

Other Names

• Benzene, 4-bromo-1-fluoro-2-methyl-

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.01; 272.00]	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			5.50000e+00
Coefficient B			5.20920e-01
Coefficient C			-3.41920e-04
Coefficient D			8.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.01	J/mol×K	273.00	Calculated Property
Cp,gas	150.87	J/mol×K	353.78	Calculated Property
Cp,gas	174.48	J/mol×K	434.56	Calculated Property
Cp,gas	195.12	J/mol×K	515.33	Calculated Property
Cp,gas	213.06	J/mol×K	596.11	Calculated Property
Cp,gas	228.58	J/mol×K	676.89	Calculated Property
Cp,gas	241.96	J/mol×K	757.67	Calculated Property
Cp,gas	253.47	J/mol×K	838.44	Calculated Property
Cp,gas	263.39	J/mol×K	919.22	Calculated Property
Cp,gas	272.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromo-2-fluorotoluene.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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