Chemical Properties of 1-BROMO-3,4-DIFLUOROBENZENE

InChI

InChI=1S/C6H3BrF2/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChI Key

YMQPKONILWWJQG-UHFFFAOYSA-N

Formula

C6H3BrF2

SMILES

Fc1ccc(Br)cc1F

Molecular Weight¹

192.99

Other Names

• 4-Bromo-1,2-difluorobenzene
• Benzene, 4-bromo-1,2-difluoro-

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (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
ω	0.3335		Relay (1.0) Calculated Property
ΔfH°gas	-238.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.00	kJ/mol	Joback Calculated Property
ΔvapH°	46.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.19 ± 0.02	eV	NIST
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	2.727		Crippen Calculated Property
McVol	92.680	ml/mol	McGowan Calculated Property
Pc	4362.63	kPa	Joback Calculated Property
Tboil	[423.50; 423.70]	K
Tboil	423.70	K	NIST
Tboil	423.50 ± 0.50	K	NIST
Tc	633.89	K	Relay (1.0) Calculated Property
Tfus	269.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[110.99; 227.48]	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			1.25000e+01
Coefficient B			4.37700e-01
Coefficient C			-3.03920e-04
Coefficient D			8.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	110.99	J/mol×K	273.00	Calculated Property
Cp,gas	132.91	J/mol×K	353.78	Calculated Property
Cp,gas	151.98	J/mol×K	434.56	Calculated Property
Cp,gas	168.46	J/mol×K	515.33	Calculated Property
Cp,gas	182.62	J/mol×K	596.11	Calculated Property
Cp,gas	194.71	J/mol×K	676.89	Calculated Property
Cp,gas	204.98	J/mol×K	757.67	Calculated Property
Cp,gas	213.70	J/mol×K	838.44	Calculated Property
Cp,gas	221.11	J/mol×K	919.22	Calculated Property
Cp,gas	227.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-BROMO-3,4-DIFLUOROBENZENE.

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)
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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