Chemical Properties of Fluorodifen (CAS 15457-05-3)

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

CAS

15457-05-3

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
• Benzene, 2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)-
• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.34; 595.95]	J/mol×K	[885.82; 1146.01]
Cp,gas	556.34	J/mol×K	885.82	Joback Calculated Property
Cp,gas	565.19	J/mol×K	929.19	Joback Calculated Property
Cp,gas	573.02	J/mol×K	972.55	Joback Calculated Property
Cp,gas	579.91	J/mol×K	1015.92	Joback Calculated Property
Cp,gas	585.96	J/mol×K	1059.28	Joback Calculated Property
Cp,gas	591.28	J/mol×K	1102.65	Joback Calculated Property
Cp,gas	595.95	J/mol×K	1146.01	Joback Calculated Property
ΔfusH	[18.44; 18.44]	kJ/mol	[364.60; 364.60]
ΔfusH	18.44	kJ/mol	364.60	NIST
ΔfusH	18.44	kJ/mol	364.60	NIST

Similar Compounds

Find more compounds similar to Fluorodifen.

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
• Joback Method
• Aqueous Solubility Prediction 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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