Chemical Properties of Benzene, 1-fluoro-3-nitro-

InChI

InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

InChI Key

WMASLRCNNKMRFP-UHFFFAOYSA-N

Formula

C6H4FNO2

SMILES

O=[N+]([O-])c1cccc(F)c1

Molecular Weight¹

141.10

Other Names

• m-Fluoronitrobenzene
• m-Nitrofluorobenzene
• 1-Fluoro-3-nitrobenzene
• 3-Fluoronitrobenzene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔcH°liquid	-2955.40	kJ/mol	NIST
EA	[1.21; 1.24]	eV
EA	1.24 ± 0.10	eV	NIST
EA	1.21 ± 0.09	eV	NIST
EA	1.24 ± 0.05	eV	NIST
EA	1.21 ± 0.05	eV	NIST
ΔfH°gas	-132.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.39	kJ/mol	Joback Calculated Property
ΔvapH°	58.05	kJ/mol	Relay (1.0) Calculated Property
IE	[9.88; 9.90]	eV
IE	9.88	eV	NIST
IE	9.90 ± 0.10	eV	NIST
log10WS	-2.05		Relay (1.0) Calculated Property
logPoct/wat	1.734		Crippen Calculated Property
McVol	90.830	ml/mol	McGowan Calculated Property
Inp	[1067.00; 1067.00]
Inp	1067.00		NIST
Inp	1067.00		NIST
Tboil	[473.50; 478.20]	K
Tboil	478.20	K	NIST
Tboil	473.50 ± 0.50	K	NIST
Tfus	293.13	K	Relay (1.0) Calculated Property

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	[113.43; 260.61]	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			-1.05900e+01
Coefficient B			5.46560e-01
Coefficient C			-3.61560e-04
Coefficient D			8.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.43	J/mol×K	273.00	Calculated Property
Cp,gas	141.34	J/mol×K	353.78	Calculated Property
Cp,gas	165.72	J/mol×K	434.56	Calculated Property
Cp,gas	186.85	J/mol×K	515.33	Calculated Property
Cp,gas	205.00	J/mol×K	596.11	Calculated Property
Cp,gas	220.45	J/mol×K	676.89	Calculated Property
Cp,gas	233.46	J/mol×K	757.67	Calculated Property
Cp,gas	244.31	J/mol×K	838.44	Calculated Property
Cp,gas	253.27	J/mol×K	919.22	Calculated Property
Cp,gas	260.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-fluoro-3-nitro-.

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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