Chemical Properties of Benzene, 2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)-

InChI

InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H

InChI Key

HHMCAJWVGYGUEF-UHFFFAOYSA-N

Formula

C13H7F3N2O5

SMILES

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

Molecular Weight¹

328.20

Other Names

• 2,4'-Dinitro-4-(trifluoromethyl)diphenyl ether
• 2,4-Dinitro-p-trifluoromethyl phenyl ether
• 2-Nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
• 4-Nitrophenyl 4-(trifluoromethyl)-2-nitrophenyl ether
• 4-Nitrophenyl «alpha»,«alpha»,«alpha»-trifluoro-2-nitro-p-tolyl ether
• 4-Trifluoromethyl-2,4'-dinitrodiphenyl ether
• 4-Trifluoromethyl-2,4'-dinitrophenyl ether
• C 6989
• Ether, 2,4'-dinitro-4-trifluoromethyldiphenyl
• Ether, p-nitrophenyl «alpha»,«alpha»,«alpha»-trifluoro-2-nitro-p-tolyl
• Fluordifen
• Fluorodiphen
• NSC 58415
• Preforan
• Soyex
• p-Nitrophenyl 2-nitro-4-(trifluoromethyl)phenyl ether
• p-Nitrophenyl «alpha»,«alpha»,«alpha»-trifluoro-2-nitro-p-tolyl ether

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_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 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	[267.28; 577.48]	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			-3.56000e+00
Coefficient B			1.19922e+00
Coefficient C			-8.11480e-04
Coefficient D			1.93300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.28	J/mol×K	273.00	Calculated Property
Cp,gas	327.69	J/mol×K	353.78	Calculated Property
Cp,gas	380.19	J/mol×K	434.56	Calculated Property
Cp,gas	425.39	J/mol×K	515.33	Calculated Property
Cp,gas	463.90	J/mol×K	596.11	Calculated Property
Cp,gas	496.33	J/mol×K	676.89	Calculated Property
Cp,gas	523.29	J/mol×K	757.67	Calculated Property
Cp,gas	545.39	J/mol×K	838.44	Calculated Property
Cp,gas	563.25	J/mol×K	919.22	Calculated Property
Cp,gas	577.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)-.

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

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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