Chemical Properties of Benzene, 1-fluoro-2,4-dinitro- (CAS 70-34-8)

InChI

InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

InChI Key

LOTKRQAVGJMPNV-UHFFFAOYSA-N

Formula

C6H3FN2O4

SMILES

O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1

Molecular Weight¹

186.10

CAS

70-34-8

Other Names

• 1,2,4-Fluorodinitrobenzene
• 1-Fluoro-2,4-dinitrobenzene
• 2,4-DNFB
• 2,4-Dinitro-1-fluorobenzene
• 2,4-Dinitrobenzenefluoride
• 2,4-Dinitrofluorobenzene
• 2,4-Dinitrophenyl fluoride
• Benzene, 2,4-dinitro-1-fluoro-
• DFB
• DNFB
• Dinitrofluorobenzene
• FDNB
• Fluoro-2,4-dinitrobenzene
• Fluorodinitrobenzene
• NSC 33519

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.15; 303.80]	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			9.20000e+00
Coefficient B			5.86420e-01
Coefficient C			-3.72920e-04
Coefficient D			8.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.15	J/mol×K	273.00	Calculated Property
Cp,gas	173.58	J/mol×K	353.78	Calculated Property
Cp,gas	200.27	J/mol×K	434.56	Calculated Property
Cp,gas	223.47	J/mol×K	515.33	Calculated Property
Cp,gas	243.43	J/mol×K	596.11	Calculated Property
Cp,gas	260.43	J/mol×K	676.89	Calculated Property
Cp,gas	274.71	J/mol×K	757.67	Calculated Property
Cp,gas	286.52	J/mol×K	838.44	Calculated Property
Cp,gas	296.14	J/mol×K	919.22	Calculated Property
Cp,gas	303.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-fluoro-2,4-dinitro-.

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)
• 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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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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